SCHEMBL6286006

SCHEMBL6286006

COc1ccc(-c2cc3nccnc3[nH]2)cc1NC(=O)N(S)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 13/20 0.44
CDK1 P06493 13/20 0.44
CCNB1 P14635 13/20 0.44
CCNB3 Q8WWL7 13/20 0.44
GSK3A P49840 11/20 0.44
GSK3B P49841 11/20 0.44
CDK5 Q00535 7/20 0.44
CDK5R1 Q15078 7/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
ACLY P53396 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.36
RUVBL1 Q9Y265 1/20 0.36

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
SCHEMBL6288173 0.88 ACLY (0.38) MEN1KMT2APOLBACLYNPSR1
SCHEMBL6279221 0.87 RIPK1 (0.52) CCNB2CDK1CCNB1CCNB3MAPK1
SCHEMBL6285019 0.86 ACLY (0.36) MEN1KMT2APOLBACLYNPSR1
SCHEMBL6288131 0.84 IRAK4 (0.40) MEN1KMT2APOLBACLYNPSR1
SCHEMBL6288150 0.84 ACLY (0.37) MEN1KMT2APOLBACLYNPSR1
SCHEMBL6288129 0.83 MAPT (0.41) GSK3BMEN1KMT2AACLYNPSR1
SCHEMBL6286958 0.83 F3 (0.43) GSK3BMEN1KMT2APOLBACLY
SCHEMBL6288186 0.83 IRAK4 (0.38) MEN1KMT2APOLBACLYNPSR1
SCHEMBL6285928 0.83 KMT2A (0.39) GSK3BMEN1KMT2APOLBACLY
SCHEMBL6286254 0.83 GSK3B (0.44) GSK3BMEN1KMT2APOLBACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US claimed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP claimed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US disclosed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP disclosed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040014759-A1 6,5-Fused bicyclic heterocycles ALOX15, ALOX5, ALOX15B CCNB2 2282/4885CDK1 1374/4885CCNB1 1280/4885

“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.