SCHEMBL19629002

SCHEMBL19629002

COCC#Cc1ccc(C(C)S)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ACACB O00763 7/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL19036905 0.85 GRM5 (0.43) CYP3A4CYP2C9CYP2D6CYP2C19ACACB
SCHEMBL23511786 0.81 ALDH1A1 (0.41) CYP3A4CYP2C9CYP2D6CYP2C19ACACB
SCHEMBL18608233 0.75 KCNH2 (0.51) CYP3A4CYP2C9CYP2D6CYP2C19ITK
SCHEMBL10488162 0.73 CYP3A4 (0.41) CYP3A4CYP2C9CYP2D6CYP2C19ITK
SCHEMBL29084200 0.73 APP (0.53) CYP3A4CYP2C9CYP2D6CYP2C19KCNH2
SCHEMBL12016065 0.73 LMNA (0.46) CYP3A4CYP2C9CYP2D6CYP2C19GRM5
SCHEMBL17729351 0.73 APP (0.53) CYP3A4CYP2C9CYP2D6CYP2C19KCNH2
SCHEMBL25864597 0.73 CYP3A4 (0.41) CYP3A4CYP2C9CYP2D6CYP2C19ACACB
SCHEMBL8349426 0.72 CYP2C19 (0.52) CYP3A4CYP2C9CYP2D6CYP2C19HTR2A
SCHEMBL19629593 0.72 CYP2A6 (0.47) CYP3A4CYP2C9CYP2D6CYP2C19ACACB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570135-B2 Substituted pyrazolo[1,5-A]pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2020-02-25 — — US disclosed
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2018-07-05 — — 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

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

For each of this compound's patents that has machine-readable text (4 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 CYP3A4 1441/4885CYP2C9 1008/4885CYP2D6 734/4885
US-20170333435-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, PARK7 CYP3A4 1952/4885CYP2C9 1429/4885CYP2D6 1035/4885
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP CYP3A4 2968/4885CYP2C9 2300/4885CYP2D6 1113/4885
US-10570135-B2 Substituted pyrazolo[1,5-A]pyrimidines and their use in the treatment of medical disorders PARK7, PNP, GAA CYP3A4 1441/4885CYP2C9 1008/4885CYP2D6 734/4885

“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.

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