SCHEMBL4516787

SCHEMBL4516787

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5cc(-c6cccc([N+](=O)[O-])c6)ccc45)[nH]c3cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
AURKB Q96GD4 2/20 0.49
GUSB P08236 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK2 P24941 9/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
CDK4 P11802 2/20 0.41
CCNA2 P20248 2/20 0.41
CCND1 P24385 2/20 0.41
CCND3 P30281 2/20 0.41
MMP13 P45452 2/20 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
SCHEMBL4506484 0.89 AURKA (0.54) AURKAAURKBCDK2JAK2JAK1
SCHEMBL4497885 0.89 AURKA (0.47) AURKAAURKBGUSBMEN1MAPT
SCHEMBL4497883 0.89 AURKA (0.47) AURKAAURKBGUSBMEN1MAPT
SCHEMBL4506681 0.87 AURKA (0.50) AURKAAURKBCDK2JAK2JAK1
SCHEMBL4510663 0.86 AURKA (0.51) AURKAAURKBCDK2JAK2JAK1
SCHEMBL5189691 0.86 AURKA (0.54) AURKAAURKBMEN1MAPTHTT
SCHEMBL4508446 0.85 CHEK1 (0.53) AURKAAURKBCDK2JAK2JAK1
SCHEMBL4504819 0.85 AURKA (0.52) AURKAAURKBCDK2JAK2JAK1
SCHEMBL4505475 0.84 AURKA (0.54) AURKAAURKBCDK2JAK2JAK1
SCHEMBL4517359 0.84 AURKA (0.51) AURKAAURKBCDK2JAK2JAK1

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 2087/4885GUSB 1596/4885

“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.