SCHEMBL2468965

SCHEMBL2468965

Cc1onc(-c2ccc(F)cc2)c1-c1cn(-c2cccnc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
PTGS2 P35354 4/20 0.41
MAPK14 Q16539 4/20 0.39
MAPK10 P53779 3/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
BRD4 O60885 1/20 0.39
MAPK9 P45984 2/20 0.39
RIPK2 O43353 1/20 0.38
CYP17A1 P05093 2/20 0.38
CSNK1D P48730 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS1 P23219 2/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CSNK1E P49674 1/20 0.35
NR3C2 P08235 1/20 0.35

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
SCHEMBL2473840 0.87 MAPK14 (0.45) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2473712 0.86 PTGS2 (0.48) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2468994 0.86 PTGS2 (0.44) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2471384 0.85 PTGS2 (0.43) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2473287 0.84 PTGS2 (0.46) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2472121 0.83 PTGS2 (0.50) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2472327 0.83 PTGS2 (0.45) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2469219 0.83 PTGS2 (0.46) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2468784 0.83 PTGS2 (0.41) PTGS2MAPK14MAPK10MAPK11MAPK13
SCHEMBL2471855 0.82 PTGS2 (0.47) PTGS2MAPK14MAPK10MAPK11MAPK13

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 CYP2E1 866/4885CYP2A6 267/4885PTGS2 3762/4885

“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.