SCHEMBL409444

SCHEMBL409444

CC(C)(C)n1nc(-c2ccc(N)cc2)c2c(N)ncnc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.82
ABL1 P00519 10/20 0.82
EGFR P00533 3/20 0.82
KDR P35968 3/20 0.82
KDM4E B2RXH2 2/20 0.82
RIPK2 O43353 2/20 0.82
ALDH1A1 P00352 2/20 0.82
LMNA P02545 2/20 0.82
LCK P06239 2/20 0.82
FYN P06241 2/20 0.82
YES1 P07947 2/20 0.82
LYN P07948 2/20 0.82
PDGFRA P16234 2/20 0.82
PRKACA P17612 2/20 0.82
FRK P42685 2/20 0.82
HTT P42858 2/20 0.82
MAPK9 P45984 2/20 0.82
CSNK1A1 P48729 2/20 0.82
CSNK1D P48730 2/20 0.82
BLK P51451 2/20 0.82

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 0.96 SRC (0.89) SRCABL1EGFRKDRKDM4E
SCHEMBL407934 0.90 SRC (1.00) SRCABL1EGFRKDRKDM4E
SCHEMBL13019680 0.89 SRC (0.77) SRCABL1EGFRKDRKDM4E
SCHEMBL3610160 0.89 SRC (0.95) SRCABL1EGFRKDRKDM4E
SCHEMBL3695039 0.89 KDM4E (1.00) SRCABL1EGFRKDRKDM4E
SCHEMBL375322 0.89 SRC (1.00) SRCABL1EGFRKDRKDM4E
SCHEMBL1962682 0.89 SRC (0.78) SRCABL1EGFRKDRKDM4E
SCHEMBL5620074 0.89 SRC (0.78) SRCABL1EGFRKDRKDM4E
SCHEMBL409031 0.89 SRC (1.00) SRCABL1EGFRKDRKDM4E
Hydrochloric Acid SCHEMBL3784318 0.88 SRC (0.97) SRCABL1EGFRKDRKDM4E

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 23 patents — showing the first 20. 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-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 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
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-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 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-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 US disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 US disclosed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 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
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 (8 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 225/4885EGFR 801/4885
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD SRC 2316/4885ABL1 3212/4885EGFR 4452/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 SRC 131/4885ABL1 137/4885EGFR 359/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 SRC 131/4885ABL1 137/4885EGFR 359/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD SRC 2316/4885ABL1 3212/4885EGFR 4452/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD SRC 2316/4885ABL1 3212/4885EGFR 4452/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885ABL1 1725/4885EGFR 3921/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD SRC 2316/4885ABL1 3212/4885EGFR 4452/4885

“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.