SCHEMBL3613762

SCHEMBL3613762

CC(C)(C)n1nc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.64
ABL1 P00519 10/20 0.64
PIK3CD O00329 3/20 0.64
PIK3CA P42336 3/20 0.64
PIK3CB P42338 3/20 0.64
PIK3CG P48736 3/20 0.64
PRKDC P78527 3/20 0.64
EGFR P00533 4/20 0.63
KDR P35968 4/20 0.63
MTOR P42345 3/20 0.63
KDM4E B2RXH2 2/20 0.63
RIPK2 O43353 2/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
LCK P06239 2/20 0.63
FYN P06241 2/20 0.63
YES1 P07947 2/20 0.63
LYN P07948 2/20 0.63
PDGFRA P16234 2/20 0.63
PRKACA P17612 2/20 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
SCHEMBL14617301 0.83 SRC (0.89) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574692 0.82 SRC (0.87) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL1961433 0.79 SRC (0.62) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL409444 0.79 SRC (0.82) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019808 0.79 SMN1; SMN2 (0.75) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019692 0.79 SRC (0.75) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29432587 0.78 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL407934 0.78 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29390926 0.78 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL1964558 0.78 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 19 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-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US 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-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 US disclosed
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 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
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines TSLP, NLRP3, IL1B SRC 3970/4885ABL1 2987/4885PIK3CD 3674/4885
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
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885ABL1 1725/4885PIK3CD 2217/4885
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B SRC 3920/4885ABL1 2533/4885PIK3CD 3413/4885

“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.