SCHEMBL3174505

SCHEMBL3174505

Nc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.71
KDR P35968 13/20 0.70
BRAF P15056 6/20 0.70
MAPK14 Q16539 2/20 0.70
TNNI3K Q59H18 2/20 0.70
RAF1 P04049 5/20 0.63
PDGFRB P09619 2/20 0.63
KIT P10721 2/20 0.63
PDGFRA P16234 2/20 0.63
FGFR2 P21802 2/20 0.63
FLT3 P36888 2/20 0.63
MAPK3 P27361 2/20 0.61
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
MEN1 O00255 1/20 0.60
PLK4 O00444 1/20 0.60
CIT O14578 1/20 0.60
AURKA O14965 1/20 0.60
MUSK O15146 1/20 0.60
EPHB6 O15197 1/20 0.60

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
SCHEMBL3167291 0.90 KDR (0.74) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL22528714 0.88 KDR (0.70) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL4933174 0.88 KDR (0.70) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL2763393 0.87 KDR (0.67) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL4211620 0.86 RAF1 (0.75) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL13945963 0.85 KDR (0.74) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL4211096 0.84 KDR (0.64) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL4344749 0.84 RAF1 (0.78) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL2762680 0.84 KDR (0.66) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL4933323 0.83 KDR (0.64) CDK8KDRBRAFMAPK14TNNI3K

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 CDK8 298/4885KDR 3898/4885BRAF 284/4885

“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.