SCHEMBL1702776

SCHEMBL1702776

Cc1ccc(-c2cc(C(C)(C)C)cc3cc(N4CCOC(CNS(C)(=O)=O)C4)cnc23)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 5/20 0.40
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.34
AURKA O14965 2/20 0.31
AURKB Q96GD4 2/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
SMO Q99835 1/20 0.30
MAPK1 P28482 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
SCHEMBL16143843 0.89 EIF2AK4 (0.40) EIF2AK4MAOBMAOAAURKAAURKB
SCHEMBL2449045 0.88 AURKA (0.40) AURKAAURKBSMO
SCHEMBL2452342 0.86 AURKA (0.43) AURKAAURKBSMO
SCHEMBL2448007 0.83 AURKA (0.30) EIF2AK4AURKAAURKB
SCHEMBL1703030 0.80 KCNJ1 (0.31)
SCHEMBL3759266 0.78 IRAK1 (0.37) AURKAAURKBSMO
SCHEMBL16143827 0.76 IRAK1 (0.40) AURKAAURKBSMO
SCHEMBL16143889 0.75 AURKA (0.43) AURKAAURKBSMO
SCHEMBL1702290 0.73
SCHEMBL16143960 0.72 AURKA (0.30) EIF2AK4AURKAAURKB

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
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP claimed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US claimed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed

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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 EIF2AK4 714/4885MAOB 903/4885MAOA 1725/4885

“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.