SCHEMBL19036905

SCHEMBL19036905

COCC#Cc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ACACB O00763 4/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ HTR2A P28223 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ITK Q08881 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19629002 0.85 CYP3A4 (0.38) GRM5CYP3A4CYP2C9ACACBCYP2D6
SCHEMBL23511786 0.84 ALDH1A1 (0.41) CYP3A4CYP2C9ACACBCYP2D6CYP2C19
SCHEMBL17729351 0.80 APP (0.53) CYP3A4CYP2C9CYP2D6CYP2C19KCNH2
SCHEMBL12016065 0.80 LMNA (0.46) GRM5CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL13981325 0.79 GRM5 (0.56) GRM5HTR2AFFAR1KCNH2
SCHEMBL18608233 0.78 KCNH2 (0.51) GRM5CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL21449243 0.78 ACACB (0.42) GRM5ACACBIDO1HTR2AFFAR1
SCHEMBL8141103 0.76 ACACB (0.50) ACACBIDO1FFAR1
SCHEMBL7038630 0.76 CYP2C19 (0.54) GRM5CYP3A4CYP2C9ACACBCYP2D6
SCHEMBL29084200 0.76 APP (0.53) CYP3A4CYP2C9CYP2D6CYP2C19KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 — — US disclosed
US-20220169652-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. 2022-06-02 — — US disclosed
US-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-12-07 — — US disclosed
US-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-10-07 — — US disclosed
US-11091492-B2 Substituted pyrazolo[1,5-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-08-17 — — US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 — — US disclosed
US-20210169886-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-10 — — US disclosed
US-10934298-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders BIAL—BioTech Investments, Inc. (PT) 2021-03-02 — — US disclosed
US-20200385390-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2020-12-10 — — US disclosed
US-10786508-B2 Substituted imidazo[1,5-A]-pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2020-09-29 — — US disclosed
US-20170349599-A1 IMIDAZO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-12-07 — — US disclosed
US-20170349598-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-12-07 — — US disclosed
US-20170333435-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - BIOTECH INVESTMENTS, INC. (PT) 2017-11-23 — — US disclosed
US-20170334916-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-11-23 — — US disclosed
US-20170334916-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-11-23 — — US disclosed
US-20170333435-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - BIOTECH INVESTMENTS, INC. (PT) 2017-11-23 — — US disclosed
US-9732089-B2 Substituted pyrazolo[1,5-a]pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2017-08-15 — — US disclosed
US-9732089-B2 Substituted pyrazolo[1,5-a]pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2017-08-15 — — US disclosed
US-20170183354-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-06-29 — — US disclosed
US-20170183354-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-06-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170334916-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, PNP, GAA GRM5 382/4885CYP3A4 1441/4885CYP2C9 1008/4885
US-20170333435-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, PARK7 GRM5 629/4885CYP3A4 1952/4885CYP2C9 1429/4885
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP GRM5 1070/4885CYP3A4 2968/4885CYP2C9 2300/4885
US-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, PARK7, GAA GRM5 173/4885CYP3A4 2197/4885CYP2C9 1436/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP GRM5 1070/4885CYP3A4 2968/4885CYP2C9 2300/4885
US-20170349598-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 GRM5 213/4885CYP3A4 1579/4885CYP2C9 1139/4885
US-10934298-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, GAA, PARK7 GRM5 213/4885CYP3A4 2221/4885CYP2C9 1440/4885
US-20170183354-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PNP, PNPO, TYMP GRM5 1098/4885CYP3A4 1096/4885CYP2C9 1241/4885
US-20210169886-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, SNCA GRM5 646/4885CYP3A4 1671/4885CYP2C9 1471/4885
US-20220169652-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, PNP, GAA GRM5 382/4885CYP3A4 1441/4885CYP2C9 1008/4885
US-20170349599-A1 IMIDAZO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 GRM5 276/4885CYP3A4 1765/4885CYP2C9 1333/4885
US-20200385390-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, PNP, GAA GRM5 382/4885CYP3A4 1441/4885CYP2C9 1008/4885
US-10786508-B2 Substituted imidazo[1,5-A]-pyrimidines and their use in the treatment of medical disorders GBA1, GAA, SNCA GRM5 668/4885CYP3A4 1784/4885CYP2C9 1504/4885
US-11091492-B2 Substituted pyrazolo[1,5-a]pyrimidines and their use in the treatment of medical disorders PARK7, PNP, GAA GRM5 382/4885CYP3A4 1441/4885CYP2C9 1008/4885
US-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 GRM5 276/4885CYP3A4 1765/4885CYP2C9 1333/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback