SCHEMBL2474629

SCHEMBL2474629

Cc1onc(-c2ccccc2)c1-c1cn(-c2ccccc2C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
PTGS2 P35354 4/20 0.47
PTGS1 P23219 3/20 0.47
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.40
GABRA5 P31644 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK14 Q16539 1/20 0.40
NTRK1 P04629 1/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
MT-CO2 P00403 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL2469160 0.93 L3MBTL1 (0.43) L3MBTL1PTGS2PTGS1POLBMAPT
SCHEMBL2473755 0.83 PTGS2 (0.50) L3MBTL1PTGS2PTGS1MAPTTDP1
SCHEMBL2471444 0.83 PTGS1 (0.50) L3MBTL1PTGS2PTGS1POLBMAPT
SCHEMBL2468902 0.82 PTGS1 (0.47) L3MBTL1PTGS2PTGS1POLBMAPT
SCHEMBL2471762 0.82 PTGS1 (0.47) L3MBTL1PTGS2PTGS1MAPTGABRA5
SCHEMBL2470757 0.81 PTGS2 (0.56) L3MBTL1PTGS2PTGS1MAPTTDP1
SCHEMBL2471400 0.81 PTGS1 (0.45) L3MBTL1PTGS2PTGS1POLBMAPT
SCHEMBL2472233 0.80 PTGS2 (0.47) L3MBTL1PTGS2PTGS1MAPTGABRA5
SCHEMBL2472880 0.79 PTGS1 (0.46) L3MBTL1PTGS2PTGS1MAPTTDP1
SCHEMBL2472128 0.79 PTGS2 (0.54) L3MBTL1PTGS2PTGS1MAPTGABRA5

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 L3MBTL1 3361/4885PTGS2 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.