SCHEMBL13859331

SCHEMBL13859331

COc1cc(Nc2nc(SC)nc(Cl)c2C#N)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA13 Q8N1Q1 4/20 0.57
CA7 P43166 3/20 0.57
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 4/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 5/20 0.40
TP53 P04637 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL2728619 0.88 KDM4E (0.60) CA1CA2CA13CA7KDM4E
SCHEMBL21069948 0.87 CA1 (0.48) CA1CA2CA13CA7KDM4E
SCHEMBL13859053 0.85 KDM4E (0.44) CA1CA2CA13CA7KDM4E
SCHEMBL3277717 0.79 CA1 (0.68) CA1CA2CA13CA7KDM4E
SCHEMBL2717013 0.77 CA1 (0.69) CA1CA2CA13CA7KDM4E
SCHEMBL2729885 0.77 RXFP1 (0.70) CA1CA2CA13CA7KDM4E
SCHEMBL21070556 0.76 DCUN1D1 (0.49) CA1CA2CA13CA7KDM4E
SCHEMBL31664135 0.74 CA1 (0.45) CA1CA2CA13KDM4ERXFP1
SCHEMBL21070990 0.74 CA1 (0.45) CA1CA2CA13KDM4ERXFP1
SCHEMBL4907415 0.72 KMT2A (0.57) KDM4EALDH1A1HPGDRXFP1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
CN-103717602-B Kinase inhibitors 加利福尼亚大学董事会 2016-11-09 CN disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 EP disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 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 (1 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-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CA1 4192/4885CA2 2761/4885CA13 4257/4885

“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.