SCHEMBL6286918

SCHEMBL6286918

COc1ccc(-c2cc3cnncc3[nH]2)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.47
ACVR1 Q04771 1/20 0.43
CDC7 O00311 3/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CHEK2 O96017 2/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
JAK2 O60674 1/20 0.39
SYK P43405 1/20 0.39
XDH P47989 1/20 0.39
AURKA O14965 1/20 0.39
FYN P06241 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
PLA2G2A P14555 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS2 P35354 1/20 0.39
SMO Q99835 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
SCHEMBL6282531 0.87 IKBKB (0.47) PARP1ACVR1CDC7MKNK1MKNK2
SCHEMBL6286151 0.87 IKBKB (0.47) PARP1ACVR1CDC7MKNK1MKNK2
SCHEMBL6493580 0.81 JAK2 (0.45) PARP1ACVR1CDC7JAK2
SCHEMBL6285957 0.81 PARP1 (0.57) PARP1CHEK2PLA2G2AALOX15PTGS2
SCHEMBL6286924 0.80 CYP1A1 (0.44) AURKAFYNCCNA2CDK2TTK
SCHEMBL6278566 0.80 RIPK1 (0.45) PARP1ACVR1CDC7MKNK1MKNK2
SCHEMBL6279302 0.80 RIPK1 (0.45) PARP1ACVR1CDC7MKNK1MKNK2
SCHEMBL6286410 0.80 PARP1 (0.42) PARP1ACVR1CDC7MKNK1MKNK2
SCHEMBL6286089 0.79 ACVR1 (0.42) PARP1ACVR1CDC7MKNK1MKNK2
SCHEMBL6287771 0.77 PARP1 (0.47) PARP1CDC7MKNK1MKNK2CHEK2

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 PARP1 1471/4885ACVR1 4258/4885CDC7 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.