SCHEMBL3609552

SCHEMBL3609552

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
ABL1 P00519 19/20 1.00
PIK3CD O00329 18/20 1.00
PIK3CA P42336 18/20 1.00
PIK3CB P42338 18/20 1.00
PIK3CG P48736 18/20 1.00
PRKDC P78527 18/20 1.00
EGFR P00533 17/20 1.00
HCK P08631 17/20 1.00
KDR P35968 17/20 1.00
MTOR P42345 17/20 1.00
EPHB4 P54760 17/20 1.00
PI4KB Q9UBF8 14/20 1.00
BACE1 P56817 1/20 0.79

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
SCHEMBL28897482 0.90 SRC (0.82) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL3607753 0.88 PIK3CD (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29387520 0.88 ABL1 (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL3603461 0.86 PIK3CD (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL24096629 0.85 SRC (0.84) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL30320624 0.85 SRC (0.84) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL30320468 0.85 SRC (0.79) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL24096509 0.85 SRC (0.79) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL3614419 0.85 ABL1 (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL2434152 0.85 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB

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 SRC 218/4885ABL1 225/4885PIK3CD 5/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 SRC 131/4885ABL1 137/4885PIK3CD 12/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 SRC 131/4885ABL1 137/4885PIK3CD 12/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 SRC 131/4885ABL1 137/4885PIK3CD 12/4885

“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.