SCHEMBL2471391

SCHEMBL2471391

CCc1onc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
SRC P12931 2/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.38
MAPK14 Q16539 5/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL2473628 0.90 MCHR1 (0.41) MCHR1PTGS2SRCBRAFKDR
SCHEMBL2471438 0.89 MCHR1 (0.39) MCHR1PTGS2SRCBRAFKDR
SCHEMBL2318109 0.85 PTGS2 (0.46) MCHR1PTGS2SRCBRAFKDR
SCHEMBL2469058 0.84 RXFP1 (0.42) PTGS2PTGS1MAPK14KDM4ECSNK1D
SCHEMBL2470857 0.83 TLR2 (0.41) PTGS2PTGS1SRCBRAFKDR
SCHEMBL2319935 0.81 PTGS2 (0.44) MCHR1PTGS2SRCBRAFKDR
SCHEMBL2471706 0.80 PTGS2 (0.41) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL2473712 0.78 PTGS2 (0.48) PTGS2PTGS1MAPK14MAPK9MAPK10
SCHEMBL2468902 0.77 PTGS1 (0.47) PTGS2PTGS1MAPK14LMNAMAPT
SCHEMBL2473221 0.76 PSEN1 (0.40) MCHR1PTGS2PTGS1MAPK14KDM4E

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 13 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
CN-101351461-A Aryl-iso  oxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE (CH) 2009-01-21 CN claimed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 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
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO claimed
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 MCHR1 870/4885PTGS2 3762/4885PTGS1 2693/4885

“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.