SCHEMBL8736853

SCHEMBL8736853

CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3nnc(C(C)(C)C)o3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.66
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDR P35968 2/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
OPRK1 P41145 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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 0.90 RAF1 (0.69) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8737814 0.90 RAF1 (0.67) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL14402931 0.88 RAF1 (0.68) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1846785 0.81 RAF1 (0.64) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1846781 0.80 RAF1 (0.63) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL938435 0.80 RAF1 (1.00) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1506293 0.79 RAF1 (0.67) RAF1MAPK13MAPK14KDRLMNA
SCHEMBL1846665 0.79 RAF1 (0.62) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1846663 0.79 RAF1 (0.61) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1847101 0.78 RAF1 (0.60) RAF1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF RAF1 2/4885MAPK13 90/4885MAPK12 245/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885MAPK13 90/4885MAPK12 245/4885

“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.