SCHEMBL296608

SCHEMBL296608

Cc1onc(-c2ccc(F)cn2)c1CNc1cc(C(=O)NC2CCOCC2)n(C)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 16/20 0.58
ITGA5 P08648 3/20 0.48
GABRA1 P14867 2/20 0.45
NTRK1 P04629 1/20 0.44

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
SCHEMBL286311 0.95 GABRA5 (0.56) GABRA5
SCHEMBL286316 0.89 GABRA5 (0.69) GABRA5ITGA5
SCHEMBL285729 0.87 GABRA5 (0.57) GABRA5ITGA5GABRA1
SCHEMBL286273 0.86 GABRA5 (0.59) GABRA5
SCHEMBL286323 0.86 GABRA5 (0.60) GABRA5ITGA5GABRA1
SCHEMBL296026 0.84 GABRA5 (0.51) GABRA5
SCHEMBL286250 0.84 GABRA5 (0.55) GABRA5
SCHEMBL296858 0.83 GABRA5 (0.45) GABRA5
SCHEMBL296607 0.82 GABRA5 (0.46) GABRA5ITGA5GABRA1NTRK1
SCHEMBL286397 0.81 GABRA5 (0.57) GABRA5ITGA5GABRA1

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 1/4885ITGA5 578/4885GABRA1 2/4885

“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.