SCHEMBL3183274

SCHEMBL3183274

CCc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.56
EPHX2 P34913 2/20 0.56
KDR P35968 7/20 0.52
MAPK14 Q16539 3/20 0.52
TNNI3K Q59H18 3/20 0.52
PLK4 O00444 2/20 0.52
AURKA O14965 2/20 0.52
MAPK13 O15264 2/20 0.52
MAP4K4 O95819 2/20 0.52
ABL1 P00519 2/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
LYN P07948 2/20 0.52
RET P07949 2/20 0.52
SRC P12931 2/20 0.52
RPS6KB1 P23443 2/20 0.52
EPHA2 P29317 2/20 0.52
AXL P30530 2/20 0.52
FRK P42685 2/20 0.52
MAPK9 P45984 2/20 0.52

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
SCHEMBL3166824 0.87 RAF1 (0.56) RAF1EPHX2KDRMAPK14TNNI3K
SCHEMBL3181849 0.83 KDR (0.58) RAF1KDRMAPK14TNNI3KAURKA
SCHEMBL3176040 0.82 KDR (0.54) RAF1EPHX2KDRMAPK14TNNI3K
SCHEMBL3183112 0.81 RAB9A (0.54) RAF1EPHX2KDRMAPK14TNNI3K
SCHEMBL3182037 0.81 KDR (0.77) RAF1KDRMAPK14TNNI3KPLK4
SCHEMBL3262852 0.81 KDR (0.61) RAF1EPHX2KDRMAPK14BRAF
SCHEMBL3187673 0.80 RAB9A (0.77) RAF1KDRMAPK14TNNI3KMAPK13
SCHEMBL15155361 0.80 LMNA (0.57) RAF1EPHX2KDRABL1MKNK2
SCHEMBL21124527 0.78 RAF1 (0.76) RAF1EPHX2KDRMAPK14TNNI3K
SCHEMBL2888270 0.76 KDR (0.57) RAF1EPHX2KDRMAPK14TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 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 (1 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-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA RAF1 171/4885EPHX2 3155/4885KDR 3898/4885

“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.