SCHEMBL3613345

SCHEMBL3613345

CC(C)n1nc(-c2ccc3occc3c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 1.00
ABL1 P00519 16/20 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
MTOR P42345 13/20 1.00
HCK P08631 13/20 1.00
PRKDC P78527 12/20 1.00
EGFR P00533 12/20 1.00
KDR P35968 11/20 1.00
EPHB4 P54760 11/20 1.00
PI4KB Q9UBF8 5/20 1.00
RICTOR Q6R327 1/20 0.68
RPTOR Q8N122 1/20 0.68
PIK3C3 Q8NEB9 1/20 0.68
MAPKAP1 Q9BPZ7 1/20 0.68
MLST8 Q9BVC4 1/20 0.68
BMPR1B O00238 1/20 0.67
RIPK2 O43353 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
SCHEMBL12608270 0.85 PIK3CD (0.73) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574867 0.82 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29391405 0.82 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL19294557 0.82 MTOR (0.71) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL18196381 0.81 SRC (0.80) SRCABL1PIK3CDPIK3CAPIK3CB
Sapanisertib SCHEMBL7902875 0.81 MTOR (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
Sapanisertib SCHEMBL29351459 0.81 MTOR (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL2468132 0.81 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL16117323 0.80 BMPR1B (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL7901532 0.80 MTOR (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.