SCHEMBL2473230

SCHEMBL2473230

COCc1onc(-c2ccc(F)cc2)c1-c1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.40
MAPK14 Q16539 4/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
CSNK1D P48730 1/20 0.38
MAPK11 Q15759 1/20 0.38
PTGS1 P23219 1/20 0.37
PDE3A Q14432 1/20 0.37
LMNA P02545 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
SCHEMBL2474107 0.88 PTGS2 (0.46) PTGS2PTGS1PDE3A
SCHEMBL2475949 0.86 PTGS2 (0.47) PTGS2MAPK14MAPK9MAPK10CSNK1D
SCHEMBL2471849 0.80 PTGS2 (0.51) PTGS2MAPK14MAPK9MAPK10CSNK1D
SCHEMBL2318797 0.75 PTGS2 (0.52) PTGS2MAPK14MAPK9MAPK10CSNK1D
SCHEMBL2469059 0.74 PTGS2 (0.64) PTGS2MAPK10PTGS1LMNA
SCHEMBL4680304 0.73 MAPK14 (0.45) PTGS2MAPK14MAPK9MAPK10CSNK1D
SCHEMBL4974520 0.73 PTGS2 (0.35) PTGS2MAPK14MAPK9MAPK10CSNK1D
SCHEMBL2471438 0.71 MCHR1 (0.39) PTGS2MAPK14MAPK9MAPK10CSNK1D
SCHEMBL2471843 0.69 RXFP1 (0.40) PTGS2MAPK14CSNK1DPTGS1PDE3A
SCHEMBL2471415 0.69 LMNA (0.53) PTGS2PTGS1PDE3ALMNA

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 7 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 disclosed
CN-101351461-B Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE 2011-09-07 CN disclosed
CN-101351461-A Aryl-iso  oxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE (CH) 2009-01-21 CN disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 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
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO 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 PTGS2 3762/4885MAPK14 4327/4885MAPK9 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.