SCHEMBL3220061

SCHEMBL3220061

CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 1.00
RAF1 P04049 9/20 1.00
MAPK13 O15264 1/20 0.58
MAPK12 P53778 1/20 0.58
MAPK11 Q15759 1/20 0.58

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
SCHEMBL3245412 0.89 MAPK14 (1.00) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3244702 0.87 MAPK14 (0.77) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3249228 0.87 MAPK14 (1.00) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3242753 0.87 MAPK14 (1.00) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3241471 0.86 MAPK14 (0.76) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3242545 0.86 MAPK14 (0.76) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3213560 0.85 MAPK14 (1.00) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3246160 0.85 MAPK14 (0.73) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3242711 0.85 MAPK14 (0.76) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3217460 0.82 MAPK14 (1.00) MAPK14RAF1MAPK13MAPK12MAPK11

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 40 patents — showing the first 20. 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-9296811-B2 Methods for treating a tumor using an antibody that specifically binds HMW-MAA University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-03-29 US disclosed
US-9296811-B2 Methods for treating a tumor using an antibody that specifically binds HMW-MAA University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-03-29 US disclosed
US-20140234324-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US disclosed
US-20140234324-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US disclosed
US-8771687-B2 Methods for treating a tumor using an antibody that specifically binds GRP94 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-07-08 US disclosed
US-6187799-B1 TREATING CANCEROUS CELL GROWTH MEDIATED BY RAF KINASE BY ADMINISTERING SPECIFIED COMPOUNDS, SUCH AS 2-(METHYOXYCARBONYL),3-((4-METHYLPHENYL)UREA),5-ALKYL-THIOPHENE ONYX PHARMACEUTICALS 2001-02-13 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
EP-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO disclosed
WO-1998052559-A1 RAF KINASE INHIBITORS 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 (3 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 MAPK14 40/4885RAF1 237/4885MAPK13 39/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 40/4885RAF1 237/4885MAPK13 39/4885
US-20140234324-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 LY96, HSPA2, BRAF MAPK14 1605/4885RAF1 77/4885MAPK13 1939/4885

“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.