SCHEMBL3701633

SCHEMBL3701633

Cc1cn(-c2ccc(N)nc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR2E1 Q9Y466 2/20 0.45
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
WNT3A P56704 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 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
SCHEMBL27985278 0.80 CYP1A2 (0.65) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL264998 0.79 CYP1A2 (0.56) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL22199019 0.79 CYP2E1 (0.56) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL15442444 0.75 NR2E1 (0.49) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL2285981 0.75 CYP1A2 (0.59) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL9701793 0.74 NR2E1 (0.48) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL3343040 0.74 NR2E1 (0.48) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL10175045 0.74 CYP2E1 (0.50) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL24369389 0.73 CYP2E1 (0.50) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL22199099 0.73 CYP2E1 (0.62) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
CN-112218857-B P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2023-11-21 CN disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
CN-114450005-A Compounds for the treatment of neurological disorders 星座制药公司 2022-05-06 CN disclosed
US-20210115008-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-04-22 US disclosed
WO-2021021893-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-02-04 WO disclosed
CN-112218857-A P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2021-01-12 CN disclosed
EP-3752497-A1 P300/CBP HAT INHIBITORS Constellation Pharmaceuticals, Inc. (US) 2020-12-23 EP disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 CN disclosed
EP-2751104-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-25 EP disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 US disclosed
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2011-09-29 US disclosed
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2011-09-29 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 US disclosed
WO-2010094647-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-26 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 (5 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-20210115008-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A CYP2E1 2303/4885CYP2A6 3887/4885CYP1A2 3986/4885
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 CYP2E1 3006/4885CYP2A6 2517/4885CYP1A2 2143/4885
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 959/4885CYP2A6 1725/4885CYP1A2 953/4885
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP CYP2E1 452/4885CYP2A6 1000/4885CYP1A2 274/4885
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, WNT3A CYP2E1 473/4885CYP2A6 119/4885CYP1A2 103/4885

“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.