SCHEMBL5597141

SCHEMBL5597141

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK14 Q16539 1/20 0.34
GRM2 Q14416 1/20 0.34
KMT2A Q03164 2/20 0.33
ALPL P05186 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
CHEK2 O96017 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP2D6 P10635 1/20 0.32

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 0.91 ICAM1 (0.38) HCRTR1HCRTR2MAPK1SMN1; SMN2ALPL
SCHEMBL13388168 0.86 RAF1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL13388916 0.85 MEN1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5597274 0.81 SCN9A (0.39) HCRTR1HCRTR2SMN1; SMN2GRM2HTT
SCHEMBL13388901 0.81 ALDH1A1 (0.38) MAPK1SMN1; SMN2ALDH1A1KMT2ACHEK2
SCHEMBL13388550 0.79 PARP10 (0.40) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2704986 0.77 RAF1 (0.46) MAPK14
SCHEMBL13388585 0.77 NPSR1 (0.40) MAPK14KMT2AMEN1
SCHEMBL6249040 0.77 RAF1 (0.43) MAPK1MAPK14
SCHEMBL6668753 0.76 MEN1 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2

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 7 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

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 CYP1A2 1131/4885CYP3A4 2132/4885CYP2C9 2256/4885

“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.