SCHEMBL3605287

SCHEMBL3605287

CC(C)n1nc(-c2cc(O)cc(Br)c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 1.00
SRC P12931 20/20 1.00
PIK3CD O00329 19/20 1.00
EGFR P00533 19/20 1.00
HCK P08631 19/20 1.00
KDR P35968 19/20 1.00
PIK3CA P42336 19/20 1.00
PIK3CB P42338 19/20 1.00
MTOR P42345 19/20 1.00
PIK3CG P48736 19/20 1.00
EPHB4 P54760 19/20 1.00
PRKDC P78527 19/20 1.00
PI4KB Q9UBF8 18/20 1.00
BACE1 P56817 1/20 0.67

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
SCHEMBL2464877 0.86 PIK3CD (1.00) ABL1SRCPIK3CDEGFRHCK
SCHEMBL3607978 0.84 SRC (1.00) ABL1SRCPIK3CDEGFRHCK
SCHEMBL409057 0.82 SRC (1.00) ABL1SRCPIK3CDEGFRHCK
SCHEMBL2434152 0.81 SRC (1.00) ABL1SRCPIK3CDEGFRHCK
SCHEMBL29387520 0.80 ABL1 (1.00) ABL1SRCPIK3CDEGFRHCK
SCHEMBL2468132 0.78 SRC (1.00) ABL1SRCPIK3CDEGFRHCK
SCHEMBL3607753 0.78 PIK3CD (1.00) ABL1SRCPIK3CDEGFRHCK
SCHEMBL3609552 0.77 SRC (1.00) ABL1SRCPIK3CDEGFRHCK
SCHEMBL28897482 0.77 SRC (0.82) ABL1SRCPIK3CDEGFRHCK
SCHEMBL3630418 0.76 SRC (0.76) ABL1SRCPIK3CDEGFRHCK

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 13 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
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-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
CN-101506211-A Kinase antagonists UNIV CALIFORNIA (US) 2009-08-12 CN 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 ABL1 225/4885SRC 218/4885PIK3CD 5/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 ABL1 137/4885SRC 131/4885PIK3CD 12/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 ABL1 137/4885SRC 131/4885PIK3CD 12/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 ABL1 137/4885SRC 131/4885PIK3CD 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.