SCHEMBL938435

SCHEMBL938435

CC(C)(C)c1nnc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 1.00
RIPK2 O43353 1/20 0.58
MAPK13 O15264 4/20 0.55
MAPK14 Q16539 5/20 0.49
KDR P35968 2/20 0.49
BRAF P15056 1/20 0.49
TNNI3K Q59H18 1/20 0.49
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
IL18 Q14116 1/20 0.43

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
SCHEMBL8737812 0.82 RAF1 (0.69) RAF1MAPK13MAPK14MAPK12MAPK11
SCHEMBL8737088 0.81 RAF1 (0.68) RAF1RIPK2MAPK13MAPK14KDR
SCHEMBL8736853 0.80 RAF1 (0.66) RAF1MAPK13MAPK14KDRMAPK12
SCHEMBL18233031 0.79 RAF1 (0.65) RAF1MAPK13MAPK14MAPK12MAPK11
SCHEMBL1846781 0.78 RAF1 (0.63) RAF1RIPK2MAPK13MAPK14MAPK12
SCHEMBL8737814 0.78 RAF1 (0.67) RAF1MAPK13MAPK14KDRMAPK12
SCHEMBL1846665 0.77 RAF1 (0.62) RAF1MAPK13MAPK14MAPK12MAPK11
SCHEMBL1846663 0.76 RAF1 (0.61) RAF1RIPK2MAPK13MAPK14MAPK12
SCHEMBL1847101 0.76 RAF1 (0.60) RAF1RIPK2MAPK13MAPK14MAPK12
SCHEMBL1847102 0.76 RAF1 (0.60) RAF1MAPK13MAPK14MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US 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
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 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
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (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 867/4885RIPK2 3703/4885MAPK13 126/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR RAF1 867/4885RIPK2 3703/4885MAPK13 126/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885RIPK2 3703/4885MAPK13 126/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR RAF1 867/4885RIPK2 3703/4885MAPK13 126/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF RAF1 2/4885RIPK2 483/4885MAPK13 90/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885RIPK2 483/4885MAPK13 90/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR RAF1 817/4885RIPK2 3498/4885MAPK13 157/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885RIPK2 3703/4885MAPK13 126/4885

“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.