SCHEMBL5899267

SCHEMBL5899267

Cc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1ON1C=Cc2sncc2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.47
BRAF P15056 5/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
RAF1 P04049 1/20 0.42
MAPK3 P27361 1/20 0.42
CA9 Q16790 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL5899271 0.88 CDK8 (0.49) KDRBRAFRAF1CA9CDK8
SCHEMBL5899310 0.87 KDR (0.51) KDRBRAFRAF1MAPK3TRPV1
SCHEMBL5899284 0.84 KDR (0.44) KDRBRAFRAF1CA9CDK8
SCHEMBL5899288 0.76 KDR (0.47) KDRBRAFRAF1CA9CDK8
SCHEMBL5899326 0.71 CA12 (0.46) KDRBRAFRAF1CA9
SCHEMBL13556584 0.70 KDR (0.82) KDRCA9TRPV1
SCHEMBL11001123 0.69 KDR (0.64) KDRBRAFRAF1MAPK3CA9
SCHEMBL5899283 0.69 BRAF (0.44) KDRBRAFCDK8
SCHEMBL118026 0.68 KDR (1.00) KDRCA9TRPV1
SCHEMBL29364392 0.68 KDR (1.00) KDRCA9TRPV1

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 KDR 45/4885BRAF 34/4885HTR2A 3662/4885

“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.