SCHEMBL4510663

SCHEMBL4510663

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5cc(-c6cccnc6)ccc45)[nH]c3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
CLK2 P49760 7/20 0.45
CLK3 P49761 7/20 0.45
DYRK1A Q13627 7/20 0.45
WNT1 P04628 3/20 0.44
CHEK1 O14757 2/20 0.44
TGFBR1 P36897 1/20 0.44
CDK2 P24941 4/20 0.42
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
CDK4 P11802 3/20 0.42
CCNA2 P20248 3/20 0.42
CCND1 P24385 3/20 0.42
CCND3 P30281 3/20 0.42
GSK3B P49841 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAP3K8 P41279 1/20 0.40

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
SCHEMBL4517832 0.94 WNT1 (0.52) AURKAAURKBCLK2CLK3DYRK1A
SCHEMBL4504819 0.92 AURKA (0.52) AURKAAURKBWNT1CHEK1CDK2
SCHEMBL4506484 0.92 AURKA (0.54) AURKAAURKBCHEK1CDK2JAK2
SCHEMBL4508446 0.91 CHEK1 (0.53) AURKAAURKBCHEK1CDK2JAK2
SCHEMBL4506681 0.88 AURKA (0.50) AURKAAURKBCHEK1CDK2JAK2
SCHEMBL4505475 0.88 AURKA (0.54) AURKAAURKBCHEK1CDK2JAK2
SCHEMBL4493942 0.87 AURKA (0.52) AURKAAURKBCLK2CLK3DYRK1A
SCHEMBL4516787 0.86 AURKA (0.49) AURKAAURKBCHEK1CDK2JAK2
SCHEMBL4507245 0.86 AURKA (0.52) AURKAAURKBCLK2CLK3DYRK1A
SCHEMBL4506709 0.86 AURKA (0.50) AURKAAURKBCLK2CLK3DYRK1A

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 AURKA 1558/4885AURKB 2087/4885CLK2 1248/4885

“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.