SCHEMBL6364178

SCHEMBL6364178

COc1ccc(C(F)(F)F)cc1N(C(N)=O)c1ccc(Sc2ccncc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
GPBAR1 Q8TDU6 9/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
SCN9A Q15858 1/20 0.36
POLQ O75417 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ALPL P05186 1/20 0.34
GAK O14976 1/20 0.34
RIPK2 O43353 1/20 0.34
STK16 O75716 1/20 0.34
EGFR P00533 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
BMP2K Q9NSY1 1/20 0.34
NLK Q9UBE8 1/20 0.34
IRAK3 Q9Y616 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
SCHEMBL5597141 0.91 CYP1A2 (0.36) HCRTR1HCRTR2SMN1; SMN2MAPK1HTT
SCHEMBL5597274 0.90 SCN9A (0.39) ICAM1SELEGPBAR1HCRTR1HCRTR2
SCHEMBL6249040 0.86 RAF1 (0.43) ICAM1SELESCN9AMAPTMAPK1
SCHEMBL2704986 0.86 RAF1 (0.46) MAPT
SCHEMBL6668753 0.85 MEN1 (0.46) GPBAR1POLQMAPTSMN1; SMN2HTT
SCHEMBL6364181 0.82 POLQ (0.41) GPBAR1HCRTR1HCRTR2POLQMAPT
SCHEMBL13388545 0.82 MAPT (0.43) HCRTR1HCRTR2MAPTMAPK1
SCHEMBL13388901 0.80 ALDH1A1 (0.38) MAPTSMN1; SMN2MAPK1HTT
SCHEMBL2704342 0.77 RAF1 (0.51) SCN9A
SCHEMBL13388168 0.77 RAF1 (0.43) ICAM1SELERIPK2

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 5 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
EP-1049664-B1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER PHARMACEUTICALS CORP (US) 2005-03-16 EP 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 ICAM1 2355/4885SELE 3393/4885GPBAR1 1243/4885

“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.