SCHEMBL4280047

SCHEMBL4280047

Cn1c(COC2CCCCO2)cc2ncnc(Oc3ccc(N)c(Cl)c3)c21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.42
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FLT1 P17948 5/20 0.33
FLT4 P35916 5/20 0.33
FGFR1 P11362 3/20 0.33
EPHA2 P29317 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
EGFR P00533 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
SCHEMBL4287455 0.81 KDR (0.55) KDRFLT1FLT4FGFR1EGFR
SCHEMBL4281050 0.78 KDR (0.76) KDRFLT1FLT4FGFR1
SCHEMBL4282322 0.72 GCK (0.33) KDRNPC1RAB9AKDM4C
SCHEMBL4289465 0.71 KDR (0.45) KDRFGFR1EGFR
SCHEMBL4283777 0.70 KDR (0.40) KDRFGFR1EGFR
SCHEMBL4284980 0.69 KDR (0.56) KDRFGFR1
SCHEMBL4283669 0.68 KDR (0.37) KDRFGFR1EGFR
SCHEMBL4278293 0.65 KDR (0.55) KDRFGFR1
SCHEMBL4771707 0.64 KDR (0.42) KDRFGFR1EGFR
SCHEMBL4280702 0.64 KDR (0.43) KDRFGFR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 KDR 2/4885ICAM1 2418/4885SELE 534/4885

“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.