SCHEMBL3610794

SCHEMBL3610794

COc1cc(F)cc(-c2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 16/20 0.75
▸ BTK Q06187 4/20 0.75
▸ PIK3CA P42336 13/20 0.72
▸ PIK3CB P42338 13/20 0.72
▸ PIK3CG P48736 13/20 0.72
▸ PRKDC P78527 13/20 0.72
▸ ABL1 P00519 12/20 0.72
▸ EGFR P00533 12/20 0.72
▸ HCK P08631 12/20 0.72
▸ SRC P12931 12/20 0.72
▸ KDR P35968 12/20 0.72
▸ MTOR P42345 12/20 0.72
▸ EPHB4 P54760 12/20 0.72
▸ PI4KB Q9UBF8 10/20 0.72
▸ FGFR2 P21802 2/20 0.61
▸ FGFR1 P11362 1/20 0.61
▸ FGFR4 P22455 1/20 0.61
▸ FGFR3 P22607 1/20 0.61
▸ LCK P06239 1/20 0.58
▸ LYN P07948 1/20 0.58

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
SCHEMBL21048480 0.90 SRC (0.70) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL16655530 0.86 PIK3CD (1.00) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL16655325 0.84 PIK3CD (1.00) PIK3CDBTK
SCHEMBL130486 0.81 PIK3CD (0.63) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL16655272 0.81 PIK3CD (1.00) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL3603658 0.79 PIK3CD (1.00) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL6430687 0.79 BTK (0.82) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL6431315 0.78 BTK (0.80) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL24041322 0.77 BTK (0.78) PIK3CDBTKPIK3CAPIK3CBPIK3CG
SCHEMBL16655844 0.77 PIK3CD (0.66) PIK3CDBTKPIK3CAPIK3CBPIK3CG

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 11 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-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-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
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 (4 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 5/4885BTK 153/4885PIK3CA 3/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885BTK 90/4885PIK3CA 4/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885BTK 90/4885PIK3CA 4/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 PIK3CD 12/4885BTK 90/4885PIK3CA 4/4885

“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.

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