SCHEMBL286432

SCHEMBL286432

CCNC(=O)c1cc(NCc2c(-c3ccc(F)cc3)noc2C)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 17/20 0.54
ENPP2 Q13822 1/20 0.49
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL286566 0.92 GABRA5 (0.53) GABRA5ENPP2THRBKDM4E
SCHEMBL286395 0.89 GABRA5 (0.58) GABRA5ENPP2THRBKDM4E
SCHEMBL286204 0.88 GABRA5 (0.57) GABRA5ENPP2THRBKDM4E
SCHEMBL285983 0.87 GABRA5 (0.68) GABRA5ENPP2KDM4E
SCHEMBL286195 0.87 GABRA5 (0.56) GABRA5ENPP2THRBKDM4E
SCHEMBL286172 0.86 GABRA5 (0.66) GABRA5ENPP2THRB
SCHEMBL286087 0.85 GABRA5 (0.57) GABRA5ENPP2KDM4E
SCHEMBL286336 0.83 GABRA5 (0.71) GABRA5
SCHEMBL286088 0.80 GABRA5 (0.54) GABRA5ENPP2THRBKDM4E
SCHEMBL286279 0.78 KDM4E (0.45) GABRA5KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US claimed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US claimed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885ENPP2 4001/4885THRB 1211/4885

“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.