SCHEMBL3613060

SCHEMBL3613060

COC(=C(C#N)C#N)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
PRSS1 P07477 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RAPGEF3 O95398 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39

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
SCHEMBL27602557 0.79 CES2 (0.48) NPC1RAB9ACASP3SENP7CES2
SCHEMBL3938851 0.78 ALDH1A1 (0.48) NPC1RAB9ACES2CES1MEN1
SCHEMBL5742776 0.78 CES2 (0.53) NPC1RAB9ACES2CES1MEN1
SCHEMBL15669384 0.78 AKR1C3 (0.51) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL14527673 0.77 MAPT (0.55) NPC1RAB9ACES2CES1MEN1
SCHEMBL200799 0.77 LTA4H (0.46) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL31025318 0.76 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL25978003 0.76 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL4255573 0.75 PDE4A (0.54) CYP1A2ALDH1A1HPGD
SCHEMBL31212363 0.74 HPGD (0.47) NPC1RAB9AMEN1KMT2ACYP1A2

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 24 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-9956214-B2 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-01 US disclosed
US-9956214-B2 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-01 US disclosed
EP-2999696-B1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-08-16 EP disclosed
EP-2999696-B1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-08-16 EP disclosed
US-20170056389-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-03-02 US disclosed
US-20170056389-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-03-02 US disclosed
US-9518026-B2 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-12-13 US disclosed
US-9518026-B2 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-12-13 US disclosed
WO-2014189947-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2014-11-27 WO 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 (5 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 NPC1 883/4885RAB9A 1456/4885CASP3 2924/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 NPC1 3080/4885RAB9A 1096/4885CASP3 1434/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 NPC1 3080/4885RAB9A 1096/4885CASP3 1434/4885
US-20170056389-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM PCK1, DCK, CILK1 NPC1 2987/4885RAB9A 3561/4885CASP3 957/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 NPC1 3080/4885RAB9A 1096/4885CASP3 1434/4885

“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.