SCHEMBL5576384

SCHEMBL5576384

CNC(=O)c1ccnc(Oc2ccc(NC(=O)Nc3cc(C(C)C)no3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.47
KDR P35968 8/20 0.45
BRAF P15056 4/20 0.43
EPHX2 P34913 2/20 0.43
MET P08581 4/20 0.42
TNNI3K Q59H18 5/20 0.41
MAPK14 Q16539 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AXL P30530 3/20 0.41
MERTK Q12866 2/20 0.41
PLK4 O00444 2/20 0.40
AURKA O14965 2/20 0.40
MAPK13 O15264 2/20 0.40
MAP4K4 O95819 2/20 0.40
ABL1 P00519 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
LYN P07948 2/20 0.40
RET P07949 2/20 0.40
SRC P12931 2/20 0.40

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
SCHEMBL5576076 0.90 BRAF (0.55) RAF1KDRBRAFMETTNNI3K
SCHEMBL5575094 0.86 RAF1 (0.66) RAF1KDRBRAFEPHX2MAPK14
SCHEMBL937912 0.83 RAF1 (0.65) RAF1KDRBRAFEPHX2MET
SCHEMBL5575729 0.83 RAF1 (0.54) RAF1KDREPHX2TNNI3KMAPK14
SCHEMBL937763 0.79 RAF1 (0.70) RAF1KDRBRAFTNNI3KMAPK14
SCHEMBL668378 0.79 RAF1 (0.76) RAF1KDRMAPK14MAPK13RIPK2
SCHEMBL1845920 0.77 RAF1 (0.55) RAF1KDRBRAFEPHX2MET
SCHEMBL5575779 0.76 BRAF (0.57) RAF1BRAFMAPK14MAPK13
SCHEMBL939305 0.74 RET (0.58) RAF1KDRBRAFEPHX2MET
SCHEMBL5571979 0.73 BRAF (0.48) RAF1BRAFMAPK14RET

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 12 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
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 958/4885BRAF 1/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF RAF1 2/4885KDR 958/4885BRAF 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.