SCHEMBL5573475

SCHEMBL5573475

CCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)on1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.68
MAPK14 Q16539 9/20 0.57
FLT3 P36888 2/20 0.53
MAPK13 O15264 3/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
RIPK2 O43353 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NTRK1 P04629 1/20 0.46
RET P07949 1/20 0.46
EPHB2 P29323 1/20 0.46
KDR P35968 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL938751 0.90 RAF1 (0.80) RAF1MAPK14FLT3MAPK13MAPK12
SCHEMBL938678 0.83 RAF1 (0.65) RAF1MAPK14FLT3MAPK13MAPK12
SCHEMBL669077 0.82 RAF1 (0.81) RAF1MAPK14FLT3MAPK13MAPK12
SCHEMBL668575 0.82 RAF1 (0.81) RAF1MAPK14FLT3MAPK13MAPK12
SCHEMBL667449 0.82 RAF1 (0.80) RAF1MAPK14FLT3MAPK13MAPK12
SCHEMBL667897 0.81 RAF1 (1.00) RAF1MAPK14FLT3MAPK13MAPK12
SCHEMBL667225 0.80 RAF1 (0.52) RAF1MAPK14FLT3MAPK13MAPK12
SCHEMBL5575729 0.80 RAF1 (0.54) RAF1MAPK14FLT3MAPK13RIPK2
SCHEMBL7814153 0.79 RAF1 (0.53) RAF1MAPK14FLT3ALDH1A1RET
SCHEMBL8736896 0.79 RAF1 (0.69) RAF1MAPK14FLT3MAPK13MAPK12

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 9 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
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 2/4885MAPK14 127/4885FLT3 131/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885MAPK14 127/4885FLT3 131/4885

“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.