SCHEMBL3607753

SCHEMBL3607753

CC(C)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
ABL1 P00519 20/20 1.00
EGFR P00533 20/20 1.00
HCK P08631 20/20 1.00
SRC P12931 20/20 1.00
KDR P35968 20/20 1.00
PIK3CA P42336 20/20 1.00
PIK3CB P42338 20/20 1.00
MTOR P42345 20/20 1.00
PIK3CG P48736 20/20 1.00
EPHB4 P54760 20/20 1.00
PRKDC P78527 20/20 1.00
PI4KB Q9UBF8 16/20 1.00
BACE1 P56817 1/20 0.76

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
SCHEMBL3603461 0.91 PIK3CD (1.00) PIK3CDABL1EGFRHCKSRC
SCHEMBL3609552 0.88 SRC (1.00) PIK3CDABL1EGFRHCKSRC
SCHEMBL14574666 0.87 SRC (0.77) PIK3CDABL1EGFRHCKSRC
SCHEMBL29390831 0.87 SRC (0.77) PIK3CDABL1EGFRHCKSRC
SCHEMBL29387520 0.86 ABL1 (1.00) PIK3CDABL1EGFRHCKSRC
SCHEMBL24096509 0.86 SRC (0.79) PIK3CDABL1EGFRHCKSRC
SCHEMBL28897482 0.86 SRC (0.82) PIK3CDABL1EGFRHCKSRC
SCHEMBL30320468 0.86 SRC (0.79) PIK3CDABL1EGFRHCKSRC
SCHEMBL130466 0.84 PIK3CD (0.76) PIK3CDABL1EGFRHCKSRC
SCHEMBL3605089 0.84 SRC (1.00) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US claimed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP claimed
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-9944639-B2 Quinolizinone derivatives as PI3K inhibitors LUPIN LIMITED (IN) 2018-04-17 US disclosed
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-05-18 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
CN-101506211-B Kinase antagonists UNIV CALIFORNIA 2013-05-22 CN 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-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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US 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
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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 5/4885ABL1 225/4885EGFR 801/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885ABL1 137/4885EGFR 359/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885ABL1 137/4885EGFR 359/4885
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK PIK3CD 1832/4885ABL1 1658/4885EGFR 2127/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 PIK3CD 754/4885ABL1 1965/4885EGFR 3507/4885
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R1, PIK3R4 PIK3CD 5/4885ABL1 53/4885EGFR 839/4885

“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.