SCHEMBL13377453

SCHEMBL13377453

COc1cc(Cn2ccnc2CN(Cc2nccn2Cc2cc(OC)cc(OC)c2)C(C)(C)C)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 4/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HSP90B1 P14625 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP4 P49662 1/20 0.36
▸ CASP5 P51878 1/20 0.36
▸ HSP90AA1 P07900 4/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL13002584 0.73 HTT (0.39) WDR5HPGDHSP90B1ALDH1A1HTT
SCHEMBL13377490 0.73 HPGD (0.32) HPGDHSP90B1HSP90AA1
SCHEMBL10261744 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3981334 0.71 HSP90B1 (0.41) WDR5HPGDHSP90B1ALDH1A1HTT
SCHEMBL13233373 0.69 ARG1 (0.42) WDR5HPGDHSP90B1HSP90AA1CYP1A2
SCHEMBL11930712 0.69 ALPG (0.37) HSP90B1HSP90AA1
SCHEMBL11930719 0.69 FPR2 (0.42) —
SCHEMBL10261305 0.68 FDPS (0.44) ALDH1A1HTT
SCHEMBL13002587 0.68 MAPK1 (0.43) HPGDALDH1A1FGFR1FGFR2FGFR4
SCHEMBL11930749 0.68 FPR2 (0.42) ALDH1A1

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-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 — — 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-20100098633-A1 SELECTIVE SEPRASE INHIBITORS SLC6A7, DNPEP, PREP WDR5 2772/4885HPGD 551/4885HSP90B1 640/4885

“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.

Send feedback