SCHEMBL3224531

SCHEMBL3224531

COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 1.00
MAPK14 Q16539 8/20 0.69
MAPK13 O15264 1/20 0.69
MAPK12 P53778 1/20 0.69
MAPK11 Q15759 1/20 0.69
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL15959533 0.88 RAF1 (0.79) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3229460 0.82 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3226722 0.82 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10220677 0.81 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3234669 0.80 RAF1 (0.67) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3244327 0.80 RAF1 (0.74) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3213560 0.78 MAPK14 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3244244 0.78 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10220054 0.77 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3245607 0.77 MAPK14 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 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-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-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-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-20130259873-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS HMW-MAA UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-10-03 US disclosed
US-20130259873-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS HMW-MAA UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-10-03 US disclosed
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
EP-0986382-B1 RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-06-25 EP disclosed
US-20050256174-A1 Raf kinase inhibitors BAYER HEALTHCARE LLC 2005-11-17 US disclosed
US-20010006975-A1 Raf kinase inhibitors BAYER CORPORATION AND ONYX PHARMACEUTICALS WEST HAVEN, CT AND RICHMOND, CA, RESPECTIVELY 2001-07-05 US disclosed
EP-0986382-A4 RAF KINASE INHIBITORS BAYER AG (US) 2001-04-11 EP 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-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 EP 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 (7 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT RAF1 4564/4885MAPK14 1093/4885MAPK13 1625/4885
US-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF RAF1 2/4885MAPK14 239/4885MAPK13 150/4885
US-20130259873-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS HMW-MAA PA2G4, BRAF, HSPA1A RAF1 107/4885MAPK14 2287/4885MAPK13 2788/4885
US-20050256174-A1 Raf kinase inhibitors BRAF, RAF1, ARAF RAF1 2/4885MAPK14 239/4885MAPK13 150/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885MAPK14 239/4885MAPK13 150/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT RAF1 4564/4885MAPK14 1093/4885MAPK13 1625/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF RAF1 2/4885MAPK14 239/4885MAPK13 150/4885

“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.