SCHEMBL5597274

SCHEMBL5597274

COc1ccc(C(F)(F)F)cc1N(C(N)=O)c1cccc(Sc2ccncc2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRAF P15056 2/20 0.37
RAF1 P04049 1/20 0.37
GPBAR1 Q8TDU6 8/20 0.37
GPR52 Q9Y2T5 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
MAPT P10636 2/20 0.35
RORC P51449 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GRM2 Q14416 1/20 0.35
NQO2 P16083 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
SCHEMBL6364178 0.90 ICAM1 (0.38) SCN9AHTTSMN1; SMN2GPBAR1ICAM1
SCHEMBL5597141 0.81 CYP1A2 (0.36) HTTSMN1; SMN2HCRTR1HCRTR2GRM2
SCHEMBL2704986 0.79 RAF1 (0.46) BRAFRAF1MAPT
SCHEMBL6249040 0.79 RAF1 (0.43) SCN9ABRAFRAF1ICAM1SELE
SCHEMBL1513789 0.79 ERAP1 (0.47) HTTSMN1; SMN2MAPTNQO2
SCHEMBL6668753 0.78 MEN1 (0.46) HTTSMN1; SMN2GPBAR1MAPT
SCHEMBL2704896 0.77 RAF1 (0.46) SCN9ARAF1MAPT
SCHEMBL6364181 0.74 POLQ (0.41) GPBAR1MAPTHCRTR1HCRTR2NQO2
SCHEMBL13388545 0.74 MAPT (0.43) MAPTRORCHCRTR1HCRTR2NQO2
SCHEMBL2702766 0.74 RAF1 (0.56) BRAFRAF1

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
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US claimed
JP-3887769-B2 2007-02-28 JP claimed
EP-1042305-A4 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER AG (US) 2003-05-14 EP claimed
JP-2001526276-A 2001-12-18 JP claimed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP claimed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
EP-1042305-A4 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER AG (US) 2003-05-14 EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 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-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 SCN9A 4693/4885HTT 3084/4885SMN1; SMN2 3312/4885

“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.