SCHEMBL3607743

SCHEMBL3607743

CC(C)(C)n1nc(C2CCc3ccccc3C2)c2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.52
SRC P12931 9/20 0.51
ABL1 P00519 7/20 0.51
PIK3CD O00329 4/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
PRKDC P78527 2/20 0.49
ATR Q13535 2/20 0.47
PRKD3 O94806 5/20 0.46
PRKD2 Q9BZL6 5/20 0.46
RIPK2 O43353 4/20 0.46
FYN P06241 4/20 0.46
PRKD1 Q15139 4/20 0.46
CSNK1D P48730 3/20 0.46
CSK P41240 3/20 0.46
MAPK8 P45983 3/20 0.46
CDK2 P24941 2/20 0.46
CAMK2A Q9UQM7 2/20 0.46
PRKCE Q02156 1/20 0.46

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
SCHEMBL12551781 0.80 RET (0.58) RETSRCABL1PIK3CDPIK3CA
SCHEMBL13019867 0.78 RET (0.57) RETSRCABL1PIK3CDPIK3CA
SCHEMBL16655488 0.73 ATR (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13147582 0.72 RET (0.50) RETSRCABL1PIK3CDPIK3CA
SCHEMBL30387689 0.72 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655772 0.71 ATR (0.59) RETPIK3CDATRBTK
SCHEMBL19763994 0.68 RET (1.00) RETSRCABL1PIK3CDPIK3CA
SCHEMBL409031 0.68 SRC (1.00) RETSRCABL1PIK3CDPIK3CA
SCHEMBL13019650 0.68 SRC (0.64) RETSRCABL1PIK3CDPIK3CA
SCHEMBL23471491 0.67 RET (0.55) RETKDR

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 9 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
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 (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 RET 295/4885SRC 218/4885ABL1 225/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 RET 289/4885SRC 131/4885ABL1 137/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 RET 289/4885SRC 131/4885ABL1 137/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 RET 289/4885SRC 131/4885ABL1 137/4885

“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.