SCHEMBL5458915

SCHEMBL5458915

FC(F)(F)c1cc(Cl)c2[nH]c(Nc3ccccc3Oc3ccc4nsnc4c3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.35
BRAF P15056 5/20 0.35
RAF1 P04049 4/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ABL1 P00519 1/20 0.33
TEK Q02763 3/20 0.33
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ERBB3 P21860 1/20 0.32
ERBB4 Q15303 1/20 0.32

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
SCHEMBL5450937 0.85 NPSR1 (0.35) NPC1RAB9ANPSR1LMNATP53
SCHEMBL5452236 0.85 KDR (0.37) KDRBRAFRAF1NPC1RAB9A
SCHEMBL5459695 0.84 KDR (0.41) KDRBRAFRAF1TEKEGFR
SCHEMBL5448427 0.83 KDR (0.41) KDRBRAFRAF1TEKEGFR
SCHEMBL5459601 0.82 MAPK8 (0.33) KDRBRAFRAF1NPC1RAB9A
SCHEMBL5444136 0.80 RIPK1 (0.40) KDRBRAFRAF1NPC1RAB9A
SCHEMBL5447363 0.76 CSNK1D (0.35) KDRBRAFRAF1TEKDYRK1A
SCHEMBL5450934 0.74 HPGD (0.38) KDRBRAFRAF1NPC1RAB9A
SCHEMBL5452404 0.74 PIM1 (0.37) KDRBRAFRAF1TEK
SCHEMBL5444075 0.73 KDR (0.41) KDRBRAFRAF1TEKEGFR

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-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US claimed
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.