SCHEMBL5899326

SCHEMBL5899326

O=C(Nc1ccc(ON2C=Cc3sncc3C2)cc1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDR P35968 14/20 0.46
TEK Q02763 10/20 0.46
BRAF P15056 4/20 0.45
PDGFRB P09619 1/20 0.44
RAF1 P04049 1/20 0.43

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
SCHEMBL5899288 0.90 KDR (0.47) CA12CA1CA2CA9KDR
SCHEMBL5899283 0.89 BRAF (0.44) KDRTEKBRAFPDGFRB
SCHEMBL5899284 0.88 KDR (0.44) CA12CA1CA2CA9KDR
SCHEMBL5899271 0.82 CDK8 (0.49) CA1CA2CA9KDRBRAF
SCHEMBL5899310 0.77 KDR (0.51) KDRTEKBRAFPDGFRBRAF1
SCHEMBL5899255 0.70 BRAF (0.56) KDRTEKBRAFRAF1
SCHEMBL937617 0.70 KDR (0.69) CA12CA1CA2CA9KDR
SCHEMBL21750852 0.69 CA12 (0.70) CA12CA1CA2CA9KDR
SCHEMBL4340395 0.68 CA12 (0.69) CA12CA1CA2CA9KDR
SCHEMBL13541769 0.68 CA12 (0.69) CA12CA1CA2CA9KDR

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 CA12 3994/4885CA1 4600/4885CA2 2929/4885

“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.