SCHEMBL2469192

SCHEMBL2469192

Cc1onc(-c2ccccc2)c1-c1cn(-c2cccc(C(=O)NC3CCC3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.49
MAPK8 P45983 1/20 0.47
MAPK14 Q16539 1/20 0.47
RIPK2 O43353 1/20 0.45
MLLT3 P42568 1/20 0.45
MLLT1 Q03111 1/20 0.45
GRM5 P41594 1/20 0.42

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
SCHEMBL2472877 0.98 GABRA5 (0.49) GABRA5MAPK8MAPK14RIPK2MLLT3
SCHEMBL2471343 0.96 MAPK8 (0.50) GABRA5MAPK8MAPK14RIPK2
SCHEMBL2471587 0.93 GABRA5 (0.54) GABRA5MAPK8MAPK14RIPK2
SCHEMBL2471420 0.92 GABRA5 (0.50) GABRA5RIPK2MLLT3MLLT1GRM5
SCHEMBL2472211 0.91 GABRA5 (0.53) GABRA5MAPK8MAPK14RIPK2
SCHEMBL2471693 0.90 GABRA5 (0.50) GABRA5RIPK2MLLT3MLLT1GRM5
SCHEMBL2469011 0.90 GABRA5 (0.53) GABRA5MAPK8MAPK14RIPK2
SCHEMBL2473240 0.88 GABRA5 (0.53) GABRA5MAPK8MAPK14RIPK2MLLT3
SCHEMBL2472225 0.88 GABRA5 (0.51) GABRA5MAPK8MAPK14RIPK2
SCHEMBL2472123 0.86 MAPK14 (0.45) MAPK8MAPK14

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
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 GABRA5 1/4885MAPK8 3967/4885MAPK14 4327/4885

“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.