SCHEMBL5899271

SCHEMBL5899271

O=C(Nc1ccc(ON2C=Cc3sncc3C2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.49
KDR P35968 12/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
RAF1 P04049 4/20 0.47
BRAF P15056 3/20 0.46
MAPK14 Q16539 1/20 0.46
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
FGFR2 P21802 1/20 0.45
FLT3 P36888 1/20 0.45

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
SCHEMBL5899310 0.90 KDR (0.51) CDK8KDRRAF1BRAFMAPK14
SCHEMBL5899267 0.88 KDR (0.47) CDK8KDRCA9RAF1BRAF
SCHEMBL5899326 0.82 CA12 (0.46) KDRCA1CA2CA9RAF1
SCHEMBL5899288 0.73 KDR (0.47) CDK8KDRCA1CA2CA9
SCHEMBL5899284 0.72 KDR (0.44) CDK8KDRCA1CA2CA9
SCHEMBL5899283 0.71 BRAF (0.44) CDK8KDRBRAFMAPK14PDGFRB
SCHEMBL118026 0.70 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL29364392 0.70 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL28901340 0.70 KDR (0.76) CDK8KDRCA1CA2CA7
SCHEMBL12319881 0.70 KDR (0.76) CDK8KDRCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors MERCK PATENT GMBH (DE) 2006-10-26 US claimed
US-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors MERCK PATENT GMBH (DE) 2006-10-26 US 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-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors TIE1, UCK2, UTS2R CDK8 243/4885KDR 45/4885CA1 4600/4885

“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.