SCHEMBL3608449

SCHEMBL3608449

CCOc1cc(C(O)=C(C#N)C#N)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.62
PDE4B Q07343 18/20 0.62
PDE4C Q08493 18/20 0.62
PDE4D Q08499 18/20 0.62
MAPK1 P28482 1/20 0.56
TSHR P16473 1/20 0.54

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
SCHEMBL3619006 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL13984781 0.83 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4816703 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3612256 0.76 TSHR (0.87) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4280677 0.76 MAPK1 (0.90) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL16950685 0.76 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4824865 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL13985878 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824868 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL28332599 0.75 MAPK1 (0.71) PDE4APDE4BPDE4CPDE4DMAPK1

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 PDE4A 1315/4885PDE4B 1444/4885PDE4C 1153/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PDE4A 1275/4885PDE4B 1359/4885PDE4C 1136/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PDE4A 1275/4885PDE4B 1359/4885PDE4C 1136/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 PDE4A 1275/4885PDE4B 1359/4885PDE4C 1136/4885

“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.