SCHEMBL937745

SCHEMBL937745

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.66
MAPK11 Q15759 5/20 0.66
ERBB2 P04626 1/20 0.66
PTK2 Q05397 4/20 0.63
MAPK13 O15264 6/20 0.62
MAPK12 P53778 4/20 0.62
DDR2 Q16832 1/20 0.60
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C8 P10632 1/20 0.56

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
SCHEMBL5733849 0.90 MAPK14 (0.75) MAPK14MAPK11ERBB2PTK2MAPK13
SCHEMBL5732952 0.90 MAPK14 (0.78) MAPK14MAPK11ERBB2PTK2MAPK13
SCHEMBL1410153 0.87 MAPK13 (0.79) MAPK14MAPK11PTK2MAPK13MAPK12
SCHEMBL937420 0.87 MAPK14 (0.68) MAPK14MAPK11ERBB2PTK2MAPK13
SCHEMBL937570 0.87 MAPK14 (0.71) MAPK14MAPK11ERBB2PTK2MAPK13
SCHEMBL4594410 0.87 MAPK14 (0.82) MAPK14MAPK11ERBB2PTK2MAPK13
SCHEMBL5476723 0.86 MAPK14 (0.81) MAPK14MAPK11PTK2MAPK13MAPK12
SCHEMBL5733636 0.85 MAPK14 (0.81) MAPK14MAPK11MAPK13MAPK12DDR2
SCHEMBL5732558 0.83 MAPK13 (0.67) MAPK14MAPK11ERBB2PTK2MAPK13
SCHEMBL937765 0.81 MAPK14 (0.67) MAPK14MAPK11ERBB2PTK2MAPK13

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
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP claimed
EP-1056725-B1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-07 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-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-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 (6 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 MAPK14 445/4885MAPK11 124/4885ERBB2 281/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR MAPK14 445/4885MAPK11 124/4885ERBB2 281/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR MAPK14 445/4885MAPK11 124/4885ERBB2 281/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR MAPK14 445/4885MAPK11 124/4885ERBB2 281/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR MAPK14 380/4885MAPK11 246/4885ERBB2 231/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR MAPK14 445/4885MAPK11 124/4885ERBB2 281/4885

“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.