SCHEMBL6285938

SCHEMBL6285938

COc1ccc(-c2cc3cncnc3[nH]2)cc1C(N)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.47
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
NPY5R Q15761 1/20 0.42
PDK1 Q15118 1/20 0.38
EGFR P00533 3/20 0.37
KIT P10721 1/20 0.36
GCK P35557 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
SCHEMBL6287306 0.92 RIPK1 (0.56) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL6287054 0.86 CLK2 (0.41) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL6286058 0.86 CCNB2 (0.49) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL6279240 0.85 RIPK1 (0.43) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL6287083 0.85 NPY5R (0.41) RIPK1NPY5REGFRKIT
SCHEMBL6285838 0.84 NPY5R (0.41) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL6286923 0.84 NPY5R (0.41) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL6282546 0.81 NPY5R (0.43) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL6282858 0.79 NPY5R (0.41) RIPK1NPY5REGFR
SCHEMBL6286952 0.77 NPY5R (0.39) RIPK1NPY5R

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 RIPK1 2043/4885CCNB2 2282/4885CDK1 1374/4885

“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.