SCHEMBL2473698

SCHEMBL2473698

Cc1onc(-c2ccc(F)cc2)c1-c1cn(-c2cccc(C#N)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
PTGS2 P35354 2/20 0.39
MAPK14 Q16539 5/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
FADS1 O60427 3/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK11 Q15759 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
SCHEMBL2469036 0.91 GRM5 (0.54) GRM5PTGS2MAPK14ALDH1A1POLB
SCHEMBL2472044 0.89 PTGS2 (0.41) PTGS2MAPK14MAPK13MAPK12MAPK10
SCHEMBL2468994 0.87 PTGS2 (0.44) PTGS2MAPK14POLBMAPK13MAPK12
SCHEMBL2471384 0.86 PTGS2 (0.43) PTGS2MAPK14POLBMAPK13MAPK12
SCHEMBL2468784 0.85 PTGS2 (0.41) PTGS2MAPK14POLBMAPK13MAPK12
SCHEMBL2469219 0.85 PTGS2 (0.46) PTGS2MAPK14ALDH1A1POLBMAPK13
SCHEMBL2473712 0.84 PTGS2 (0.48) PTGS2MAPK14POLBMAPK13MAPK12
SCHEMBL2473626 0.83 MAPT (0.43) PTGS2MAPK14POLBMAPK13MAPK12
SCHEMBL2473287 0.82 PTGS2 (0.46) GRM5PTGS2MAPK14POLBMAPK13
SCHEMBL2476849 0.81 PTGS2 (0.48) PTGS2MAPK14

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 GRM5 26/4885PTGS2 3762/4885MAPK14 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.