SCHEMBL13054560

SCHEMBL13054560

CN1C(=N)N[C@](C)(c2ccnc(-c3cccc(Cl)c3F)c2)[C@H](c2ccc(C3CC3)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.34
KLKB1 P03952 5/20 0.34
F9 P00740 4/20 0.34
KMO O15229 2/20 0.33
MAPK14 Q16539 1/20 0.30
PLAT P00750 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
SCHEMBL7560396 1.00 F11 (0.34) F11KLKB1F9KMOMAPK14
SCHEMBL7547989 0.88 MAPKAPK2 (0.33) MAPK14
SCHEMBL13055346 0.88 MAPKAPK2 (0.33) MAPK14
SCHEMBL13054262 0.87 BACE1 (0.33)
SCHEMBL7570598 0.87 BACE1 (0.33)
SCHEMBL13054551 0.85
SCHEMBL7547373 0.85
SCHEMBL7558410 0.84 BACE1 (0.36)
SCHEMBL13054425 0.84 BACE1 (0.36)
SCHEMBL7604664 0.83

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 F11 871/4885KLKB1 2115/4885F9 3736/4885

“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.