SCHEMBL2472887

SCHEMBL2472887

Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(F)(F)F)cc2)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
GABRA5 P31644 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 1/20 0.40
MAPK14 Q16539 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CA12 O43570 1/20 0.39
MT-CO2 P00403 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL2474850 0.86 NPC1 (0.46) PTGS1PTGS2L3MBTL1HTTNPC1
SCHEMBL2472364 0.83 GABRA5 (0.43) PTGS1PTGS2L3MBTL1HTTNPC1
SCHEMBL2470836 0.82 MAPK14 (0.48) PTGS1PTGS2HTTKMT2AMEN1
SCHEMBL2471999 0.81 PTGS2 (0.45) PTGS1PTGS2HTTNPC1KMT2A
SCHEMBL2473829 0.81 DHODH (0.45) PTGS1PTGS2L3MBTL1HTTNPC1
SCHEMBL2468902 0.81 PTGS1 (0.47) PTGS1PTGS2L3MBTL1HTTNPC1
SCHEMBL2474038 0.80 MAPT (0.44) PTGS1PTGS2L3MBTL1NPC1GABRA5
SCHEMBL2472255 0.79 PTGS2 (0.52) PTGS1PTGS2L3MBTL1HTTKMT2A
SCHEMBL2471679 0.74 PTGS2 (0.50) PTGS1PTGS2L3MBTL1HTTKMT2A
SCHEMBL2471762 0.74 PTGS1 (0.47) PTGS1PTGS2L3MBTL1HTTNPC1

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 10 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
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
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 PTGS1 2693/4885PTGS2 3762/4885L3MBTL1 3361/4885

“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.