SCHEMBL5575729

SCHEMBL5575729

CCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cc(C(=O)NC)ccn3)cc2)on1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.54
KDR P35968 5/20 0.46
MAPK14 Q16539 6/20 0.46
FLT3 P36888 1/20 0.46
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPK13 O15264 2/20 0.40
RIPK2 O43353 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
ROS1 P08922 1/20 0.39
SRC P12931 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL5575094 0.91 RAF1 (0.66) RAF1KDRMAPK14FLT3EPHX2
SCHEMBL5571979 0.91 BRAF (0.48) RAF1MAPK14RET
SCHEMBL938678 0.85 RAF1 (0.65) RAF1KDRMAPK14FLT3EPHX2
SCHEMBL5576384 0.83 RAF1 (0.47) RAF1KDRMAPK14FLT3EPHX2
SCHEMBL7814153 0.82 RAF1 (0.53) RAF1KDRMAPK14FLT3ALDH1A1
SCHEMBL5575779 0.81 BRAF (0.57) RAF1MAPK14ALDH1A1MAPK13
SCHEMBL938751 0.81 RAF1 (0.80) RAF1KDRMAPK14FLT3MAPK13
SCHEMBL5573475 0.80 RAF1 (0.68) RAF1KDRMAPK14FLT3ALDH1A1
SCHEMBL668378 0.79 RAF1 (0.76) RAF1KDRMAPK14FLT3MAPK13
SCHEMBL669081 0.74 RAF1 (0.60) RAF1MAPK14ALDH1A1MAPK13

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
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
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 2/4885KDR 958/4885MAPK14 127/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885KDR 958/4885MAPK14 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.