SCHEMBL4494044

SCHEMBL4494044

CCN1C(=O)C(C)(C)c2cc3nc(-c4nn(COCC[Si](C)(C)C)c5cc(-c6ccccc6)ccc45)n(COCC[Si](C)(C)C)c3cc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
NPC1 O15118 1/20 0.31
PTGER4 P35408 1/20 0.30

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
SCHEMBL4493984 0.90 BRD4 (0.39) BRD4AURKAAURKB
SCHEMBL4504140 0.90 BRD4 (0.36) BRD4AURKAAURKB
SCHEMBL4504227 0.90 BRD4 (0.37) BRD4AURKAAURKBPTGER4
SCHEMBL4501413 0.88 BRD4 (0.36) BRD4AURKAAURKB
SCHEMBL4506965 0.85 BRD4 (0.37) BRD4AURKAAURKBNPC1PTGER4
SCHEMBL4492358 0.83 SMN1; SMN2 (0.37) BRD4NPC1
SCHEMBL4492355 0.83 SMN1; SMN2 (0.37) BRD4NPC1
Benzene SCHEMBL4493992 0.83 BRD4 (0.39) BRD4AURKAAURKB
SCHEMBL5249126 0.74 KDM4E (0.39) NPC1
SCHEMBL5518836 0.73 KDM4E (0.44) NPC1PTGER4

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 5 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 disclosed
EP-2001882-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-La Roche AG (CH) 2008-12-17 EP disclosed
EP-1968932-A1 PROCESS FOR PREPARING CINACALCET Teva Pharmaceutical Industries Ltd. (IL) 2008-09-17 EP disclosed
WO-2008063645-A1 PROCESS FOR PREPARING CINACALCET TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-05-29 WO disclosed
WO-2007107346-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 BRD4 1830/4885AURKA 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.