SCHEMBL937012

SCHEMBL937012

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2cccc(C(=O)Nc3cccnc3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 1.00
EPHX2 P34913 2/20 0.62
BRAF P15056 1/20 0.57
ALDH1A1 P00352 1/20 0.56
KDR P35968 1/20 0.55
TEK Q02763 1/20 0.55

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
SCHEMBL4248593 0.86 RAF1 (1.00) RAF1BRAFKDR
SCHEMBL938333 0.83 RAF1 (0.81) RAF1BRAFKDR
SCHEMBL4464158 0.81 RAF1 (0.68) RAF1BRAFALDH1A1KDR
SCHEMBL938321 0.81 RAF1 (0.74) RAF1BRAFALDH1A1KDR
SCHEMBL939567 0.79 RAF1 (1.00) RAF1BRAFKDRTEK
SCHEMBL621112 0.79 RAF1 (0.83) RAF1BRAFKDRTEK
SCHEMBL937412 0.79 RAF1 (1.00) RAF1EPHX2BRAFKDR
SCHEMBL1506305 0.78 RAF1 (0.84) RAF1
SCHEMBL9192658 0.77 AHR (0.67) RAF1EPHX2ALDH1A1KDR
SCHEMBL7152016 0.77 ABL1 (0.71) RAF1BRAFALDH1A1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP claimed
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-1636585-B2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-06-13 EP disclosed
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP disclosed
EP-2289515-A2 Combinations comprising a diaryl urea and an interferon Bayer HealthCare LLC (US) 2011-03-02 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-20090068146-A1 DIARYL UREAS AND COMBINATIONS BAYER PHARMACEUTICALS CORPORATION 2009-03-12 US disclosed
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity BAYER HEALTHCARE LLC 2008-09-18 US disclosed
EP-1636585-B1 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORP (US) 2008-01-16 EP disclosed
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity BAYER HEALTHCARE LLC 2007-01-25 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 (8 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 867/4885EPHX2 2696/4885BRAF 487/4885
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity FLT4, FLT1, FLT3 RAF1 51/4885EPHX2 1989/4885BRAF 31/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR RAF1 867/4885EPHX2 2696/4885BRAF 487/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885EPHX2 2696/4885BRAF 487/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR RAF1 867/4885EPHX2 2696/4885BRAF 487/4885
US-20090068146-A1 DIARYL UREAS AND COMBINATIONS NR4A1, NAP1L4, NR4A3 RAF1 4118/4885EPHX2 2384/4885BRAF 4067/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR RAF1 817/4885EPHX2 1885/4885BRAF 290/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885EPHX2 2696/4885BRAF 487/4885

“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.