SCHEMBL5454402

SCHEMBL5454402

O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1nnc(Oc2ccncc2)s1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BLM P54132 9/20 0.71
WRN Q14191 2/20 0.71
RAF1 P04049 1/20 0.52
CDK8 P49336 2/20 0.52
KDR P35968 6/20 0.51
BRAF P15056 5/20 0.51
MAPK14 Q16539 1/20 0.48
TNNI3K Q59H18 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL5439554 0.84 BLM (0.55) BLMWRNRAF1CDK8KDR
SCHEMBL939171 0.84 CDK8 (0.70) BLMWRNRAF1CDK8KDR
SCHEMBL5446099 0.83 KDR (0.55) BLMWRNRAF1KDRBRAF
SCHEMBL29602870 0.83 BLM (1.00) BLMWRN
SCHEMBL20659647 0.83 BLM (1.00) BLMWRN
SCHEMBL5436652 0.82 BRAF (0.69) RAF1CDK8KDRBRAFMAPK14
SCHEMBL5456041 0.82 BRAF (0.49) BLMWRNKDRBRAFMAPK14
SCHEMBL5444646 0.80 BLM (0.74) BLMWRN
SCHEMBL5444864 0.80 KDM4E (0.47) BLMWRNRAF1KDRBRAF
SCHEMBL5437217 0.79 LMNA (0.69) BLMWRNRAF1CDK8

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-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 US claimed
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 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-20070191353-A1 Use of thiadiazoleurea derivatives RAF1, ARAF, JAK1 BLM 4089/4885WRN 3961/4885RAF1 1/4885

“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.