SCHEMBL2340966

SCHEMBL2340966

c1ccc(Nc2cn[nH]c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALOX12 P18054 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
ALOX15 P16050 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
PTGS2 P35354 1/20 0.50
HTR2B P41595 1/20 0.50
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
ALK Q9UM73 1/20 0.47
ROCK2 O75116 1/20 0.45
MAPT P10636 6/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL20448367 0.79 MAP4K4 (0.39) AKT1AKT2ALKMAP4K4JAK2
SCHEMBL9720272 0.75 ROCK2 (0.71) TSHRROCK2KMT2ATP53RAB9A
SCHEMBL30076634 0.75 GRM4 (0.52) ALDH1A1ALOX15MEN1KMT2AMAP4K4
SCHEMBL19467813 0.74 MAP4K4 (0.41) MAPK1AKT1AKT2ROCK2MAP4K4
SCHEMBL4561597 0.72 JAK2 (0.44) ALKMAP4K4JAK2JAK1JAK3
SCHEMBL12479651 0.72 MAP4K4 (0.40) MAPK1AKT1AKT2ALKROCK2
SCHEMBL950988 0.72 METAP2 (0.48) ALDH1A1AKT1AKT2ROCK2MEN1
Diphenylamine SCHEMBL3003404 0.72 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL1619083 0.72 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL229 0.72 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308115-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2024-01-24 EP disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP disclosed
CN-101124228-B Pyrazolopyrimidine compounds as antitumor agents ASTRAZENECA AB 2011-06-15 CN disclosed
EP-2021316-A1 INHIBITORS OF POLO-LIKE KINASES Abbott Laboratories (US) 2009-02-11 EP disclosed
CN-101268078-A Pyrazolo [3, 4-b ] pyridine compounds and their use as PDE4 inhibitors GLAXO GROUP LTD (GB) 2008-09-17 CN disclosed
US-7419995-B2 N-substituted benzimidazoyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 EP disclosed
EP-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
CN-101124228-A Pyrazolopyrimidine compounds as antitumor agents ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
WO-2007140233-A1 INHIBITORS OF POLO-LIKE KINASES ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 WO disclosed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 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 (1 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-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K HSD17B10 3662/4885ALDH1A1 977/4885TDP1 4069/4885

“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.