SCHEMBL667449

SCHEMBL667449

CCC(C)(CC)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)on1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.80
RIPK2 O43353 1/20 0.59
MAPK14 Q16539 8/20 0.54
MAPK13 O15264 6/20 0.53
FLT3 P36888 1/20 0.50
KDR P35968 2/20 0.47
BRAF P15056 1/20 0.47
TNNI3K Q59H18 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47

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
SCHEMBL938751 0.92 RAF1 (0.80) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL667897 0.89 RAF1 (1.00) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL668557 0.86 RAF1 (0.60) RAF1MAPK14MAPK13MAPK11
SCHEMBL5573475 0.82 RAF1 (0.68) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL937764 0.81 RAF1 (0.66) RAF1RIPK2MAPK14MAPK13KDR
SCHEMBL669077 0.79 RAF1 (0.81) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL937763 0.79 RAF1 (0.70) RAF1RIPK2MAPK14MAPK13KDR
SCHEMBL668575 0.79 RAF1 (0.81) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL938678 0.78 RAF1 (0.65) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL5571965 0.78 BRAF (0.53) RAF1MAPK14MAPK13BRAF

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 10 patents. 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
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US claimed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP 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
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN 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 RAF1 155/4885RIPK2 792/4885MAPK14 31/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 RAF1 155/4885RIPK2 792/4885MAPK14 31/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF RAF1 2/4885RIPK2 483/4885MAPK14 127/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885RIPK2 483/4885MAPK14 127/4885

“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.