SCHEMBL296673

SCHEMBL296673

Cc1onc(-c2ccc(F)cn2)c1N(C)c1cc(C(=O)NC2CC2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 16/20 0.41
CRHR1 P34998 1/20 0.37
TGFBR1 P36897 1/20 0.36
NTRK1 P04629 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL296607 0.95 GABRA5 (0.46) GABRA5NTRK1
SCHEMBL298195 0.89 GABRA5 (0.46) GABRA5
SCHEMBL297419 0.86 GABRA5 (0.42) GABRA5
SCHEMBL296027 0.86 GABRA5 (0.43) GABRA5TGFBR1
SCHEMBL296857 0.84 GABRA5 (0.43) GABRA5NTRK1
SCHEMBL296599 0.82 GABRA5 (0.41) GABRA5
SCHEMBL286311 0.81 GABRA5 (0.56) GABRA5
SCHEMBL297987 0.79 GABRA5 (0.38) GABRA5
SCHEMBL296608 0.77 GABRA5 (0.58) GABRA5NTRK1
SCHEMBL286323 0.75 GABRA5 (0.60) GABRA5

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 6 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
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
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
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 1/4885CRHR1 938/4885TGFBR1 1022/4885

“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.