SCHEMBL6286058

SCHEMBL6286058

COc1ccc(-c2cc3nccnc3[nH]2)cc1C(N)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 16/20 0.49
CDK1 P06493 16/20 0.49
CCNB1 P14635 16/20 0.49
CCNB3 Q8WWL7 16/20 0.49
GSK3B P49841 14/20 0.49
GSK3A P49840 13/20 0.49
CDK5 Q00535 9/20 0.49
CDK5R1 Q15078 9/20 0.49
NPY5R Q15761 1/20 0.43
RIPK1 Q13546 1/20 0.41
EGFR P00533 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
SCHEMBL6282546 0.89 NPY5R (0.43) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL6287306 0.88 RIPK1 (0.56) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL6285938 0.86 RIPK1 (0.47) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL6287083 0.85 NPY5R (0.41) NPY5RRIPK1EGFR
SCHEMBL6282858 0.85 NPY5R (0.41) NPY5RRIPK1EGFR
SCHEMBL6279240 0.83 RIPK1 (0.43) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL6286923 0.81 NPY5R (0.41) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL6285838 0.81 NPY5R (0.41) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL6287054 0.81 CLK2 (0.41) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL6286952 0.79 NPY5R (0.39) NPY5RRIPK1

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.