SCHEMBL4492243

SCHEMBL4492243

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)[nH]c3cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.52
CLK3 P49761 3/20 0.52
DYRK1A Q13627 3/20 0.52
AURKA O14965 2/20 0.50
AURKB Q96GD4 2/20 0.50
AXL P30530 3/20 0.46
WNT1 P04628 1/20 0.44
LRRK2 Q5S007 6/20 0.44
MAP3K8 P41279 4/20 0.43
MAPK1 P28482 1/20 0.41
CHEK1 O14757 1/20 0.41
SRC P12931 1/20 0.41
CDK2 P24941 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL4506709 0.94 AURKA (0.50) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL4493942 0.88 AURKA (0.52) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL4517832 0.87 WNT1 (0.52) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL4507605 0.85 AURKA (0.51) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL4501171 0.85 AURKA (0.49) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL4506616 0.85 AURKA (0.49) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL4497835 0.85 AURKA (0.51) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL4501508 0.84 AURKA (0.50) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL4493631 0.84 AURKA (0.51) CLK2CLK3DYRK1AAURKAAURKB
SCHEMBL5189605 0.83 AURKA (0.56) AURKAAURKBMAP3K8CHEK1SRC

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 CLK2 1248/4885CLK3 542/4885DYRK1A 2095/4885

“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.