SCHEMBL6278566

SCHEMBL6278566

COc1ccc(-c2cc3cncnc3[nH]2)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.45
PDK1 Q15118 2/20 0.43
ACVR1 Q04771 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
PARP1 P09874 3/20 0.42
CDC7 O00311 3/20 0.42
SYK P43405 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CHUK O15111 2/20 0.40
IKBKB O14920 1/20 0.40
CLK1 P49759 2/20 0.39
CDK5 Q00535 2/20 0.39
DYRK1A Q13627 2/20 0.39
CDK5R1 Q15078 2/20 0.39
XDH P47989 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39

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
SCHEMBL6286700 0.84 RIPK1 (0.65) RIPK1
SCHEMBL6286089 0.83 ACVR1 (0.42) ACVR1PARP1CDC7SYKMKNK1
SCHEMBL6278568 0.82 RIPK1 (0.46) RIPK1PDK1PDK2PDK3PDK4
SCHEMBL6286151 0.81 IKBKB (0.47) ACVR1PARP1CDC7MKNK1MKNK2
SCHEMBL6283094 0.81 PARP1 (0.49) ACVR1PARP1SYKMKNK1MKNK2
SCHEMBL6286918 0.80 PARP1 (0.47) ACVR1PARP1CDC7SYKMKNK1
SCHEMBL6282531 0.79 IKBKB (0.47) ACVR1PARP1CDC7MKNK1MKNK2
SCHEMBL6279302 0.79 RIPK1 (0.45) RIPK1ACVR1PARP1CDC7SYK
SCHEMBL6279297 0.79 CCNB2 (0.56) RIPK1CHUKCDK5CDK5R1INSR
SCHEMBL7221620 0.77 RIPK1 (0.49) RIPK1PDK1PDK2PDK3PDK4

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 RIPK1 2043/4885PDK1 1491/4885ACVR1 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.