SCHEMBL19455697

SCHEMBL19455697

Cc1cc(-c2cccnc2)n2ncc(C(=O)NC(C)(C)C3CC3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
HTR6 P50406 1/20 0.42
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
TYK2 P29597 2/20 0.38
GBA1 P04062 1/20 0.38
EPHA2 P29317 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL19455698 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19455696 0.86 LMNA (0.49) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19436695 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19455419 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19455179 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19455732 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19036930 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19455269 0.78 HSD11B1 (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9900063 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19455772 0.77 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20190330213-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2019-10-31 US disclosed
US-9840510-B1 Pyrazolo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2017-12-12 US disclosed
US-9840510-B1 Pyrazolo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2017-12-12 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-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
WO-2017176960-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-10-12 WO 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-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, PARK7, GAA ALDH1A1 1084/4885KDM4E 889/4885HPGD 1253/4885
US-20170349598-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 ALDH1A1 1104/4885KDM4E 690/4885HPGD 1842/4885
US-10934298-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, GAA, PARK7 ALDH1A1 840/4885KDM4E 1447/4885HPGD 1492/4885
US-20190330213-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 ALDH1A1 1104/4885KDM4E 690/4885HPGD 1842/4885

“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.