SCHEMBL4936336

SCHEMBL4936336

Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C(=O)OCc5ccccc5)CC4)c(C(F)(F)F)c3)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.74
CDK8 P49336 2/20 0.74
CDK1 P06493 1/20 0.74
KDR P35968 4/20 0.56
ABL1 P00519 9/20 0.54
SRC P12931 7/20 0.53
MKNK1 Q9BUB5 4/20 0.52
MKNK2 Q9HBH9 4/20 0.52
BCR P11274 3/20 0.52
FGFR4 P22455 2/20 0.52
RET P07949 2/20 0.52
AXL P30530 2/20 0.52
FLT3 P36888 2/20 0.52
MERTK Q12866 2/20 0.52
NTRK1 P04629 2/20 0.52
TEK Q02763 2/20 0.52
NTRK2 Q16620 2/20 0.52
FLT1 P17948 2/20 0.52
FLT4 P35916 2/20 0.52
STK25 O00506 1/20 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
SCHEMBL4938628 0.86 SRC (0.60) CDK2CDK8CDK1KDRABL1
SCHEMBL3681671 0.85 CDK2 (0.88) CDK2CDK8CDK1KDRABL1
SCHEMBL29678277 0.85 CDK2 (1.00) CDK2CDK8CDK1KDRABL1
SCHEMBL29678397 0.85 CDK2 (0.88) CDK2CDK8CDK1KDRABL1
SCHEMBL3676641 0.85 CDK2 (1.00) CDK2CDK8CDK1KDRABL1
SCHEMBL4937809 0.84 CDK2 (0.85) CDK2CDK8CDK1KDRABL1
SCHEMBL13991160 0.84 CDK2 (0.82) CDK2CDK8CDK1KDRABL1
SCHEMBL4931472 0.83 CDK2 (0.84) CDK2CDK8CDK1KDRABL1
SCHEMBL4931456 0.78 F13A1 (0.54) KDRABL1SRCMKNK1MKNK2
SCHEMBL24670335 0.77 CDK2 (0.66) CDK2CDK8CDK1KDRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA CDK2 83/4885CDK8 170/4885CDK1 190/4885

“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.