SCHEMBL3603658

SCHEMBL3603658

COc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 18/20 1.00
▸ PIK3CA P42336 17/20 1.00
▸ PIK3CB P42338 17/20 1.00
▸ PIK3CG P48736 17/20 1.00
▸ PRKDC P78527 17/20 1.00
▸ EGFR P00533 17/20 1.00
▸ ABL1 P00519 16/20 1.00
▸ HCK P08631 16/20 1.00
▸ SRC P12931 16/20 1.00
▸ KDR P35968 16/20 1.00
▸ MTOR P42345 16/20 1.00
▸ EPHB4 P54760 16/20 1.00
▸ PI4KB Q9UBF8 13/20 1.00
▸ ITK Q08881 1/20 0.69
▸ BTK Q06187 1/20 0.63

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
SCHEMBL21067912 0.98 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3616908 0.93 EGFR (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655475 0.86 PIK3CD (0.84) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655570 0.85 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4827163 0.83 SRC (0.83) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12105019 0.83 SRC (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15087027 0.83 SRC (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3612927 0.83 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4826071 0.83 EGFR (0.81) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1317659 0.81 LCK (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 5/4885PIK3CA 3/4885PIK3CB 17/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PIK3CA 4/4885PIK3CB 21/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PIK3CA 4/4885PIK3CB 21/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PIK3CA 4/4885PIK3CB 21/4885

“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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