SCHEMBL937732

SCHEMBL937732

COc1cc(Cl)c(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.72
BRAF P15056 6/20 0.68
GSK3B P49841 2/20 0.58
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
KDR P35968 5/20 0.54
MAPK14 Q16539 2/20 0.54
TNNI3K Q59H18 2/20 0.54
MEN1 O00255 1/20 0.54
PLK4 O00444 1/20 0.54
CIT O14578 1/20 0.54
AURKA O14965 1/20 0.54
MUSK O15146 1/20 0.54
EPHB6 O15197 1/20 0.54
MAPK13 O15264 1/20 0.54
MLNR O43193 1/20 0.54
MAP3K7 O43318 1/20 0.54
RIPK2 O43353 1/20 0.54
DYRK3 O43781 1/20 0.54
PDE6D O43924 1/20 0.54

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
SCHEMBL939451 0.86 RAF1 (0.83) RAF1BRAFGSK3BKDRMAPK14
SCHEMBL937287 0.84 RAF1 (1.00) RAF1BRAFGSK3BKDRMAPK14
SCHEMBL936533 0.82 RAF1 (0.73) RAF1BRAFGSK3BKDRMAPK14
SCHEMBL30462521 0.82 RAF1 (0.73) RAF1BRAFGSK3BKDRMAPK14
SCHEMBL938321 0.82 RAF1 (0.74) RAF1BRAFALDH1A1MAPTKDR
SCHEMBL14022012 0.82 BRAF (0.55) RAF1BRAFALDH1A1MAPTKDR
SCHEMBL4468281 0.81 BRAF (1.00) BRAF
SCHEMBL29045853 0.81 RAF1 (0.70) RAF1BRAFGSK3BKDRMAPK14
SCHEMBL4323342 0.80 RAF1 (0.54) RAF1BRAFGSK3BALDH1A1MAPT
SCHEMBL15573094 0.79 RAF1 (0.53) RAF1BRAFGSK3BALDH1A1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2020-05-19 US disclosed
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2018-10-18 US disclosed
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2016-01-21 US disclosed
US-8618141-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE LLC (US) 2013-12-31 US disclosed
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-11-15 US disclosed
US-8242147-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2012-08-14 US disclosed
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP disclosed
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY DUMAS JACQUES 2011-01-20 US disclosed
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity BAYER HEALTHCARE LLC 2008-09-18 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 (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-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885GSK3B 3011/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885GSK3B 3011/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885GSK3B 3011/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885GSK3B 3011/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR RAF1 817/4885BRAF 290/4885GSK3B 2358/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885GSK3B 3011/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 RAF1 2/4885BRAF 1/4885GSK3B 1277/4885

“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.