SCHEMBL3605078

SCHEMBL3605078

Nc1ncnc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.61
PRKDC P78527 14/20 0.61
PIK3CA P42336 11/20 0.61
PIK3CB P42338 11/20 0.61
PIK3CG P48736 11/20 0.61
SRC P12931 5/20 0.55
ABL1 P00519 3/20 0.55
EGFR P00533 1/20 0.55
HCK P08631 1/20 0.55
KDR P35968 1/20 0.55
MTOR P42345 1/20 0.55
EPHB4 P54760 1/20 0.55
KDM4E B2RXH2 1/20 0.48
IKBKB O14920 1/20 0.47
MAPKAPK2 P49137 1/20 0.46
BTK Q06187 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
SCHEMBL20748491 0.86 PIK3CG (0.54) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL19414290 0.84 SRC (0.57) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL5065122 0.82 PIK3CD (0.57) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL20093454 0.82 SRC (0.61) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL408618 0.82 PIK3CD (0.55) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL23917483 0.80 PIK3CD (0.60) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL31367061 0.80 ABL1 (0.58) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL21467059 0.80 ABL1 (0.58) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL30387156 0.79 PIK3CD (0.59) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL200349 0.79 NUDT14 (0.62) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 US disclosed
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP disclosed
US-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-8642604-B2 Substituted pyrazolo[3,2-d]pyrimidines as anti-cancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2004654-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2013-05-22 EP disclosed
EP-2551270-A2 PYRAZOLOPYRMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS The Regents of The University of California (US) 2013-01-30 EP disclosed
US-20110301144-A1 Kinase Antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 US disclosed
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 US disclosed
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 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 (6 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA PIK3CD 5/4885PRKDC 368/4885PIK3CA 3/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PRKDC 189/4885PIK3CA 4/4885
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines TSLP, NLRP3, IL1B PIK3CD 3674/4885PRKDC 1687/4885PIK3CA 3812/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PRKDC 189/4885PIK3CA 4/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PRKDC 189/4885PIK3CA 4/4885
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B PIK3CD 3413/4885PRKDC 2166/4885PIK3CA 2924/4885

“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.