SCHEMBL3615741

SCHEMBL3615741

CC(C)n1nc(-c2ccc3nc(N)ccc3c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 1.00
ABL1 P00519 17/20 1.00
HCK P08631 15/20 1.00
PIK3CD O00329 13/20 1.00
PIK3CA P42336 13/20 1.00
PIK3CB P42338 13/20 1.00
PIK3CG P48736 13/20 1.00
PRKDC P78527 13/20 1.00
EGFR P00533 13/20 1.00
MTOR P42345 13/20 1.00
KDR P35968 12/20 1.00
EPHB4 P54760 12/20 1.00
PI4KB Q9UBF8 4/20 0.74
BACE1 P56817 1/20 0.74
LCK P06239 1/20 0.68
EPHA3 P29320 1/20 0.68
CSK P41240 1/20 0.68

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
SCHEMBL3610356 0.91 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL21067895 0.85 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL17962818 0.85 SRC (0.74) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL14574867 0.85 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL29391405 0.85 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL18196381 0.84 SRC (0.80) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL29391126 0.83 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL14574687 0.83 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL2468132 0.83 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL29390313 0.82 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA

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 SRC 218/4885ABL1 225/4885HCK 637/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 SRC 131/4885ABL1 137/4885HCK 382/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 SRC 131/4885ABL1 137/4885HCK 382/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 SRC 131/4885ABL1 137/4885HCK 382/4885

“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.