SCHEMBL6286410

SCHEMBL6286410

COc1ccc(-c2cc3nnccc3[nH]2)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.42
CDC7 O00311 5/20 0.42
ACVR1 Q04771 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CHEK2 O96017 2/20 0.39
CHUK O15111 1/20 0.39
INSR P06213 1/20 0.39
MAPK8 P45983 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
MAPT P10636 2/20 0.37
JAK2 O60674 1/20 0.37
PRNP P04156 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 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
SCHEMBL6287771 0.84 PARP1 (0.47) PARP1CDC7MKNK1MKNK2CHEK2
SCHEMBL6279302 0.84 RIPK1 (0.45) PARP1CDC7ACVR1MKNK1MKNK2
SCHEMBL6286415 0.82 TUBB4A (0.38) MAPTTHRB
SCHEMBL6279297 0.81 CCNB2 (0.56) CHUKINSRMAPK8CAMKK2
SCHEMBL6286918 0.80 PARP1 (0.47) PARP1CDC7ACVR1MKNK1MKNK2
SCHEMBL6286151 0.79 IKBKB (0.47) PARP1CDC7ACVR1MKNK1MKNK2
SCHEMBL6286089 0.78 ACVR1 (0.42) PARP1CDC7ACVR1MKNK1MKNK2
SCHEMBL6282531 0.77 IKBKB (0.47) PARP1CDC7ACVR1MKNK1MKNK2
SCHEMBL6278620 0.76 PARP1 (0.49) PARP1CHEK2SYKKDM4E
SCHEMBL6286700 0.74 RIPK1 (0.65)

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 4 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
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 1471/4885CDC7 3702/4885ACVR1 4258/4885

“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.