SCHEMBL4465314

SCHEMBL4465314

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)n(-c2cccc(N)c2)n1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.83
MAPK13 O15264 13/20 0.83
MAPK12 P53778 12/20 0.83
MAPK11 Q15759 12/20 0.83
DDR2 Q16832 4/20 0.83
SRC P12931 2/20 0.75
ABL1 P00519 2/20 0.66
KIT P10721 2/20 0.66
CYP3A4 P08684 1/20 0.66
DDR1 Q08345 1/20 0.66
MAPK9 P45984 1/20 0.65

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
SCHEMBL1410553 0.93 MAPK13 (0.75) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL12245433 0.91 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3300214 0.90 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL938408 0.88 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL12245434 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL16866510 0.86 MAPK13 (0.83) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5733448 0.85 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL16866512 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL28933401 0.85 MAPK13 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14039599 0.84 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11DDR2

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 31/4885MAPK13 35/4885MAPK12 42/4885
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF MAPK14 166/4885MAPK13 92/4885MAPK12 217/4885

“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.