SCHEMBL6286089

SCHEMBL6286089

COc1ccc(-c2cc3ncncc3[nH]2)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.42
PARP1 P09874 4/20 0.42
CDC7 O00311 3/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NR3C1 P04150 1/20 0.39
PIK3CD O00329 1/20 0.38
CHEK2 O96017 1/20 0.38
RPS6KB1 P23443 1/20 0.38
BRAF P15056 1/20 0.38
ENPP1 P22413 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
SYK P43405 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL6287771 0.83 PARP1 (0.47) PARP1CDC7MKNK1MKNK2ALDH1A1
SCHEMBL6278566 0.83 RIPK1 (0.45) ACVR1PARP1CDC7MKNK1MKNK2
SCHEMBL6286092 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HPGDNR3C1
SCHEMBL6282531 0.81 IKBKB (0.47) ACVR1PARP1CDC7MKNK1MKNK2
SCHEMBL6286918 0.79 PARP1 (0.47) ACVR1PARP1CDC7MKNK1MKNK2
SCHEMBL6286151 0.78 IKBKB (0.47) ACVR1PARP1CDC7MKNK1MKNK2
SCHEMBL6286410 0.78 PARP1 (0.42) ACVR1PARP1CDC7MKNK1MKNK2
SCHEMBL6279297 0.78 CCNB2 (0.56) CHUK
SCHEMBL6283094 0.77 PARP1 (0.49) ACVR1PARP1MKNK1MKNK2KDM4E
SCHEMBL6287143 0.75 ALDH1A1 (0.72) PARP1KDM4EALDH1A1HPGDCHEK2

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 6 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
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 ACVR1 4258/4885PARP1 1471/4885CDC7 3702/4885

“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.