SCHEMBL6764375

SCHEMBL6764375

CSC1=c2cc(C#N)ccc2=NC1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
KMT2A Q03164 4/20 0.33
CASP3 P42574 1/20 0.33
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8102526 0.71 MAP2K7 (0.42) KMT2AMEN1
SCHEMBL10819020 0.67 HSD17B3 (0.41) KMT2AMEN1L3MBTL1
SCHEMBL20204992 0.61 CA2 (0.40) CA1CA2CASP3KDM4ENOS3
SCHEMBL4418842 0.60 KMT2A (0.47) CA1CA2KMT2ACASP3MEN1
SCHEMBL11622088 0.58 CASP3 (0.52) CA1CA2CASP3NOS3NOS1
SCHEMBL1435831 0.58 ALDH1A1 (0.39) CA1CA2KDM4EL3MBTL1
SCHEMBL7087447 0.58 KMT2A (0.45) KMT2AMEN1KDM4EL3MBTL1
SCHEMBL124070 0.58 AR (0.47) KMT2AMEN1KDM4EL3MBTL1RXFP1
SCHEMBL4031416 0.58 KMT2A (0.49) KMT2AMEN1L3MBTL1
SCHEMBL14685626 0.57 KMT2A (0.44) KMT2AMEN1KDM4EL3MBTL1

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-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK CA1 4791/4885CA2 3596/4885KMT2A 1161/4885

“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.