SCHEMBL667209

SCHEMBL667209

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.62
ERBB2 P04626 1/20 0.62
MAPK11 Q15759 1/20 0.62
RAF1 P04049 1/20 0.57
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.51
CYP17A1 P05093 1/20 0.48

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
SCHEMBL1287891 0.84 CCNC (0.57) MAPK14ERBB2MAPK11RAF1CCNC
SCHEMBL14300805 0.84 MAPK14 (0.53) MAPK14ERBB2MAPK11RAF1MAPT
SCHEMBL668689 0.84 MAPK14 (0.62) MAPK14ERBB2MAPK11RAF1MEN1
SCHEMBL668382 0.84 RAF1 (0.62) MAPK14RAF1
SCHEMBL3188434 0.80 KMT2A (0.50) MAPK14MAPK11MAPTSMN1; SMN2LMNA
SCHEMBL18233029 0.80 MEN1 (0.52) MAPK14MAPK11MAPTSMN1; SMN2LMNA
SCHEMBL667885 0.77 RAF1 (0.72) MAPK14ERBB2MAPK11RAF1CCNC
SCHEMBL524524 0.77 MAPK14 (1.00) MAPK14ERBB2MAPK11RAF1MAPT
SCHEMBL3181820 0.77 CCNC (0.74) MAPK14ERBB2MAPK11RAF1CCNC
SCHEMBL668208 0.77 MAPK14 (0.60) MAPK14RAF1MAPTSMN1; SMN2LMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US claimed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US claimed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP claimed
JP-4403482-B2 2010-01-27 JP claimed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP claimed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP claimed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN claimed
JP-2001526223-A 2001-12-18 JP claimed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP claimed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP claimed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP claimed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING 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 (4 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885ERBB2 537/4885MAPK11 42/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885ERBB2 537/4885MAPK11 42/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF MAPK14 127/4885ERBB2 350/4885MAPK11 164/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MAPK14 127/4885ERBB2 350/4885MAPK11 164/4885

“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.