SCHEMBL4517832

SCHEMBL4517832

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(-c6cccnc6)cc45)[nH]c3cc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
CLK2 P49760 9/20 0.51
CLK3 P49761 9/20 0.51
DYRK1A Q13627 9/20 0.51
MAP3K8 P41279 7/20 0.46
TGFBR1 P36897 1/20 0.44
PDPK1 O15530 1/20 0.43

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
SCHEMBL4510663 0.94 AURKA (0.51) WNT1AURKAAURKBCLK2CLK3
SCHEMBL4493942 0.92 AURKA (0.52) WNT1AURKAAURKBCLK2CLK3
SCHEMBL4501508 0.89 AURKA (0.50) WNT1AURKAAURKBCLK2CLK3
SCHEMBL4492243 0.87 CLK2 (0.52) WNT1AURKAAURKBCLK2CLK3
SCHEMBL10700213 0.87 AURKA (0.56) AURKAAURKB
SCHEMBL4507605 0.87 AURKA (0.51) WNT1AURKAAURKBCLK2CLK3
SCHEMBL4501171 0.86 AURKA (0.49) WNT1AURKAAURKBCLK2CLK3
SCHEMBL4509493 0.86 AURKA (0.53) WNT1AURKAAURKBCLK2CLK3
SCHEMBL4497835 0.86 AURKA (0.51) WNT1AURKAAURKBCLK2CLK3
SCHEMBL4504819 0.86 AURKA (0.52) WNT1AURKAAURKBMAP3K8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 US claimed
US-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 US 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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 WNT1 1522/4885AURKA 1558/4885AURKB 2087/4885

“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.