SCHEMBL2473840

SCHEMBL2473840

Cc1onc(-c2ccc(F)cc2)c1-c1cn(-c2ccncc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.45
MAPK10 P53779 3/20 0.45
MAPK9 P45984 2/20 0.45
CSNK1D P48730 2/20 0.45
MAPK11 Q15759 4/20 0.44
PTGS2 P35354 3/20 0.44
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
PTGS1 P23219 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1E P49674 1/20 0.38
CYP17A1 P05093 1/20 0.38
NR3C2 P08235 1/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL2473712 0.93 PTGS2 (0.48) MAPK14MAPK10MAPK9CSNK1DMAPK11
SCHEMBL2473287 0.88 PTGS2 (0.46) MAPK14MAPK10MAPK9CSNK1DMAPK11
SCHEMBL2473617 0.87 NPC1 (0.46) MAPK14MAPK10MAPK9CSNK1DMAPK11
SCHEMBL2472121 0.87 PTGS2 (0.50) MAPK14MAPK10MAPK11PTGS2MAPK13
SCHEMBL2468965 0.87 CYP2E1 (0.47) MAPK14MAPK10MAPK9CSNK1DMAPK11
SCHEMBL2471855 0.86 PTGS2 (0.47) MAPK14MAPK10MAPK9MAPK11PTGS2
SCHEMBL2468994 0.85 PTGS2 (0.44) MAPK14MAPK10MAPK9MAPK11PTGS2
SCHEMBL2471867 0.85 PTGS2 (0.44) MAPK14MAPK10MAPK9CSNK1DMAPK11
SCHEMBL2472327 0.85 PTGS2 (0.45) MAPK14MAPK10MAPK9CSNK1DMAPK11
SCHEMBL2472044 0.84 PTGS2 (0.41) MAPK14MAPK10MAPK9CSNK1DMAPK11

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 MAPK14 4327/4885MAPK10 3698/4885MAPK9 3322/4885

“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.