SCHEMBL22594686

SCHEMBL22594686

COc1cc2ncnc(Oc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.70
EGFR P00533 8/20 0.70
FLT4 P35916 7/20 0.70
SRC P12931 4/20 0.70
BRAF P15056 2/20 0.70
CIT O14578 1/20 0.70
GAK O14976 1/20 0.70
EPHB6 O15197 1/20 0.70
ABCC4 O15439 1/20 0.70
DAPK3 O43293 1/20 0.70
RIPK2 O43353 1/20 0.70
NR1I2 O75469 1/20 0.70
RPS6KA4 O75676 1/20 0.70
STK17B O94768 1/20 0.70
STK10 O94804 1/20 0.70
PRKD3 O94806 1/20 0.70
ABCB11 O95342 1/20 0.70
MAP4K4 O95819 1/20 0.70
CHEK2 O96017 1/20 0.70
ABL1 P00519 1/20 0.70

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
SCHEMBL4386005 0.87 KDR (0.61) KDREGFRFLT4SRCBRAF
SCHEMBL4023679 0.85 SRC (0.66) KDREGFRFLT4SRCBRAF
SCHEMBL17278101 0.85 SRC (0.66) KDREGFRFLT4SRCBRAF
SCHEMBL5202741 0.85 KDR (0.77) KDRFLT4FLT1
SCHEMBL13319080 0.84 EGFR (0.71) KDREGFRFLT4SRCBRAF
SCHEMBL28820139 0.83 EGFR (0.68) KDREGFRFLT4SRCBRAF
SCHEMBL4377354 0.83 KDR (0.63) KDREGFRFLT4SRCBRAF
SCHEMBL4382125 0.83 SRC (0.59) KDREGFRFLT4SRCBRAF
SCHEMBL4388812 0.83 SRC (0.61) KDREGFRFLT4SRCBRAF
SCHEMBL4375029 0.83 SRC (0.59) KDREGFRFLT4SRCBRAF

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-20200338202-A1 SHORT TAT OLIGOMERS FOR DRUG DELIVERY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-10-29 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-20200338202-A1 SHORT TAT OLIGOMERS FOR DRUG DELIVERY ACIN1, MYCBP, STAT3 KDR 303/4885EGFR 1343/4885FLT4 354/4885

“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.