SCHEMBL3234671

SCHEMBL3234671

COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1cccc(C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.69
MAPK14 Q16539 7/20 0.59
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
PKM P14618 2/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
POLB P06746 1/20 0.52
GPR17 Q13304 1/20 0.48
RPS6KB1 P23443 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
GBA1 P04062 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3224242 0.88 MAPK14 (0.66) RAF1MAPK14KMT2AMEN1MAPK13
SCHEMBL3243782 0.87 RAB9A (0.58) RAF1MAPK14KMT2AMEN1MAPT
SCHEMBL3220668 0.87 MAPK14 (0.67) RAF1MAPK14MAPTMAPK13MAPK12
SCHEMBL3244244 0.81 RAF1 (1.00) RAF1MAPK14KMT2AMEN1MAPT
SCHEMBL3234930 0.79 MAPK14 (0.51) RAF1MAPK14MAPTMAPK13MAPK12
SCHEMBL3546504 0.78 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11RPS6KB1
SCHEMBL3241483 0.77 MAPK14 (0.72) RAF1MAPK14KMT2AMEN1MAPK13
SCHEMBL3549473 0.75 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7819915 0.74 RPS6KB1 (0.64) RAF1MAPK14RPS6KB1
SCHEMBL3551351 0.74 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11RPS6KB1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US claimed
JP-4344960-B2 2009-10-14 JP claimed
EP-1019040-B1 ARYL UREAS FOR THE TREATMENT OF INFLAMMATORY OR IMMUNOMODULATORY DISEASES BAYER AG (US) 2004-09-29 EP claimed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US claimed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US claimed
JP-2001526687-A 2001-12-18 JP claimed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP claimed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP claimed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO claimed
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
EP-1019040-B1 ARYL UREAS FOR THE TREATMENT OF INFLAMMATORY OR IMMUNOMODULATORY DISEASES BAYER AG (US) 2004-09-29 EP disclosed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US disclosed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US disclosed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 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 (2 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-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas MAPK1, MAP3K1, MAP3K7 RAF1 237/4885MAPK14 40/4885KMT2A 2738/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 RAF1 237/4885MAPK14 40/4885KMT2A 2738/4885

“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.