SCHEMBL5575766

SCHEMBL5575766

CC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ccncc3)c2)on1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.61
MAPK14 Q16539 6/20 0.56
BRAF P15056 7/20 0.56
ALDH1A1 P00352 1/20 0.51
MAPK13 O15264 1/20 0.49
NTRK1 P04629 2/20 0.46
RET P07949 1/20 0.45
EPHB2 P29323 1/20 0.45
KDR P35968 1/20 0.45
CSF1R P07333 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL668592 0.90 MAPK14 (0.55) RAF1MAPK14BRAFALDH1A1MAPK13
SCHEMBL5571965 0.90 BRAF (0.53) RAF1MAPK14BRAFALDH1A1MAPK13
SCHEMBL667588 0.89 RAF1 (0.72) RAF1MAPK14ALDH1A1MAPK13NTRK1
SCHEMBL668121 0.84 MAPK14 (0.51) RAF1MAPK14BRAFALDH1A1PKM
SCHEMBL668089 0.82 MEN1 (0.63) RAF1MAPK14BRAFKMT2A
SCHEMBL938135 0.81 RAF1 (0.61) RAF1MAPK14BRAFALDH1A1MAPK13
SCHEMBL18232987 0.79 MAPK14 (0.76) RAF1MAPK14BRAFALDH1A1MAPK13
SCHEMBL5576199 0.79 RAF1 (0.58) RAF1MAPK14ALDH1A1MAPK13NTRK1
SCHEMBL667125 0.79 MAPK14 (0.50) RAF1MAPK14BRAFALDH1A1MAPK13
SCHEMBL667132 0.79 MAPK14 (0.80) RAF1MAPK14BRAFMAPK13

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 11 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
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
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO 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
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE 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 (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 2/4885MAPK14 127/4885BRAF 1/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885MAPK14 127/4885BRAF 1/4885

“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.