SCHEMBL5456978

SCHEMBL5456978

Cc1cc(Oc2ccc(Nc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2)c(C)c2sc(N)nc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.35
BRAF P15056 3/20 0.33
RAF1 P04049 3/20 0.33
HTT P42858 1/20 0.32
AGPAT2 O15120 1/20 0.32
TEK Q02763 2/20 0.32
SCN9A Q15858 3/20 0.31
SCN5A Q14524 2/20 0.31
PDE10A Q9Y233 2/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3B P49841 1/20 0.31
CSNK1G2 P78368 1/20 0.31
KCNH2 Q12809 2/20 0.30
TRPV1 Q8NER1 1/20 0.30
MAP2K1 Q02750 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TTBK1 Q5TCY1 1/20 0.30
TTBK2 Q6IQ55 1/20 0.30

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
SCHEMBL14595255 0.82 RIPK1 (0.39) KDRBRAFRAF1HTTTEK
SCHEMBL5456884 0.79 NPC1 (0.46) KDRBRAFRAF1HTTTEK
SCHEMBL5448427 0.75 KDR (0.41) KDRBRAFRAF1TEKSCN9A
SCHEMBL14521447 0.72 POLB (0.41) KDRHTTAGPAT2SMN1; SMN2
SCHEMBL5450821 0.70 KDR (0.41) KDRBRAFRAF1PDE10ACSNK1A1
SCHEMBL5454834 0.70 MAPT (0.39) KDRBRAFRAF1HTTTEK
SCHEMBL5450095 0.70 KDR (0.44) KDRBRAFRAF1HTTTEK
SCHEMBL5446154 0.69 KDR (0.35) KDRBRAFRAF1PDE10ACSNK1A1
SCHEMBL5459695 0.69 KDR (0.41) KDRBRAFRAF1TEK
SCHEMBL5796233 0.68 BRAF (0.36) KDRBRAFRAF1TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US claimed
EP-1656377-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2006-05-17 EP claimed
WO-2005019216-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-03 WO claimed
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US disclosed
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 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-20070021456-A1 Aminobenzimidazole derivatives TIE1, KDR, FLT1 KDR 2/4885BRAF 22/4885RAF1 17/4885

“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.