SCHEMBL3663141

SCHEMBL3663141

Cc1cc(-c2cnc(N)nc2N)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FGFR1 P11362 4/20 0.44
DHFR P00374 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALK Q9UM73 1/20 0.38
PIK3CA P42336 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5AP P20292 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL30065933 1.00 NPC1 (0.50) NPC1KDM4EGAAHSD17B10FGFR1
SCHEMBL4463005 0.80 HCAR2 (0.42) DHFRPIK3CAHCAR2
SCHEMBL4608258 0.80 DHFR (0.46) HSD17B10FGFR1DHFR
SCHEMBL29528815 0.76 DHFR (0.39) FGFR1DHFRPIK3CA
SCHEMBL4457723 0.75 HCAR2 (0.43) GAADHFRPIK3CAHCAR2SMN1; SMN2
SCHEMBL28814166 0.75 PIK3CA (0.37) FGFR1DHFRPIK3CASRC
SCHEMBL4464801 0.73 DHFR (0.42) FGFR1DHFRSRC
SCHEMBL28664537 0.73 MKNK1 (0.40) GAADHFRPIK3CAHCAR2SMN1; SMN2
SCHEMBL4984247 0.71 CDK2 (0.53) NPC1KDM4EGAAHSD17B10L3MBTL1
SCHEMBL28814284 0.71 PIK3CA (0.35) DHFRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 US claimed
EP-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 EP claimed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 WO claimed
CN-118307674-A Antibody molecules against CD73 and uses thereof 诺华股份有限公司 2024-07-09 CN disclosed
CN-115448910-B Pyridazine derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-19 CN disclosed
CN-110785187-B Antibody molecules against CD73 and uses thereof 诺华股份有限公司 2024-04-05 CN disclosed
CN-115448910-A Pyridazine derivative inhibitor, and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-09 CN disclosed
CN-114920840-A Antibody molecules against PD-L1 and uses thereof 诺华股份有限公司 2022-08-19 CN disclosed
CN-111757878-A Pyridazine derivative inhibitor, and preparation method and application thereof 江苏豪森药业集团有限公司 2020-10-09 CN disclosed
CN-109843903-A CYCLIC DINUCLEOTIDE COMPOUNDS 勃林格殷格翰国际有限公司 2019-06-04 CN disclosed
US-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
CN-102112467-B Pyrimidine derivative as kinase inhibitors IRM LLC 2014-04-30 CN disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 US disclosed
WO-2010002655-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-01-07 WO disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
WO-2009013545-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-01-29 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 (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-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IGF1R, IRS1, IP6K1 NPC1 3518/4885KDM4E 1272/4885GAA 819/4885

“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.