SCHEMBL4465205

SCHEMBL4465205

CC(C)(C)c1cc(NC(=O)Nc2ccc(Sc3ccncc3)cc2)n(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.75
DDR2 Q16832 5/20 0.75
ABL1 P00519 3/20 0.63
KIT P10721 3/20 0.63
MAPK13 O15264 8/20 0.61
MAPK12 P53778 8/20 0.61
MAPK11 Q15759 8/20 0.61
PTK2 Q05397 1/20 0.58
MAPK9 P45984 1/20 0.55
SRC P12931 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
SCHEMBL5733849 0.88 MAPK14 (0.75) MAPK14DDR2ABL1KITMAPK13
SCHEMBL12245436 0.86 MAPK14 (1.00) MAPK14DDR2ABL1KITMAPK13
SCHEMBL939307 0.86 MAPK14 (0.74) MAPK14DDR2ABL1KITMAPK13
SCHEMBL12245435 0.86 MAPK14 (1.00) MAPK14DDR2ABL1KITMAPK13
SCHEMBL5733448 0.82 MAPK14 (0.84) MAPK14DDR2ABL1KITMAPK13
SCHEMBL5733636 0.80 MAPK14 (0.81) MAPK14DDR2ABL1KITMAPK13
SCHEMBL2082226 0.79 MAPK14 (0.77) MAPK14DDR2ABL1KITMAPK13
SCHEMBL937754 0.79 BRAF (0.65) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL667387 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL937745 0.78 MAPK14 (0.66) MAPK14DDR2MAPK13MAPK12MAPK11

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
EP-1056725-B1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-07 EP claimed
US-7625915-B2 Inhibition of RAF kinase using aryl and heteroaryl substituted heterocyclic ureas BAYER HEALTHCARE LLC (US) 2009-12-01 US disclosed
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas DUMAS JACQUES 2008-12-04 US disclosed
EP-1043995-B9 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2008-10-08 EP disclosed
US-7329670-B1 Inhibition of RAF kinase using aryl and heteroaryl substituted heterocyclic ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-02-12 US disclosed
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2008-01-10 US disclosed
EP-1043995-B1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-11-29 EP disclosed
EP-1056725-B1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-07 EP disclosed
EP-1043995-A4 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2003-05-07 EP disclosed
EP-1056725-A4 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
CN-1283192-A Inhibition of raf kinase using aryl and hetroaryl substituted heterocyclic ureas BAYER AG (US) 2001-02-07 CN disclosed
EP-1056725-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-12-06 EP disclosed
EP-1043995-A1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-18 EP disclosed
WO-1999032110-A1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032455-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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 (2 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-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas MAPK1, MAP3K1, MAP3K2 MAPK14 31/4885DDR2 3770/4885ABL1 86/4885
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF MAPK14 166/4885DDR2 2246/4885ABL1 146/4885

“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.