SCHEMBL5573489

SCHEMBL5573489

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Oc2ccncc2)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.80
MAPK13 O15264 2/20 0.80
MAPK14 Q16539 16/20 0.71
ERBB2 P04626 1/20 0.61
MAPK11 Q15759 1/20 0.61
BRAF P15056 1/20 0.61
NTRK1 P04629 1/20 0.60

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
SCHEMBL667587 0.89 MAPK13 (1.00) RAF1MAPK13MAPK14ERBB2MAPK11
SCHEMBL5575739 0.83 MAPK14 (1.00) RAF1MAPK13MAPK14MAPK11BRAF
SCHEMBL16870246 0.81 MAPK14 (0.78) RAF1MAPK13MAPK14BRAF
SCHEMBL667132 0.81 MAPK14 (0.80) RAF1MAPK13MAPK14ERBB2MAPK11
SCHEMBL9923556 0.80 MAPK14 (1.00) RAF1MAPK13MAPK14MAPK11BRAF
SCHEMBL18407354 0.79 MAPK14 (0.81) RAF1MAPK13MAPK14ERBB2MAPK11
SCHEMBL667815 0.79 RAF1 (0.60) RAF1MAPK13MAPK14BRAF
SCHEMBL5575743 0.79 MAPK14 (0.59) RAF1MAPK13MAPK14MAPK11BRAF
SCHEMBL3300214 0.77 MAPK14 (0.84) RAF1MAPK13MAPK14MAPK11BRAF
SCHEMBL1410387 0.77 MAPK13 (0.68) RAF1MAPK13MAPK14MAPK11BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN claimed
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
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 (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 90/4885MAPK14 127/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885MAPK13 90/4885MAPK14 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.