SCHEMBL3925451

SCHEMBL3925451

CN(c1cc(-c2ccccc2)c2nc[nH]c2c1)c1ccnc([S+](C)[O-])n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL3933161 0.81 DPP4 (0.34) DPP4ADORA3ADORA2AADORA1
SCHEMBL5947912 0.81 DPP4 (0.35) DPP4
SCHEMBL14395973 0.79 BRD4 (0.33) DPP4
SCHEMBL5914223 0.74 BRD4 (0.35) —
SCHEMBL14396494 0.74 MAPK8 (0.40) ADORA2AADORA1
SCHEMBL14396352 0.73 SYK (0.36) —
SCHEMBL3924418 0.72 OGA (0.40) —
SCHEMBL5914113 0.69 MEN1 (0.39) ADORA2A
SCHEMBL5914308 0.69 AURKA (0.39) ADORA2A
SCHEMBL5914297 0.68 GABRA1 (0.38) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — 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-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 DPP4 1381/4885ADORA3 400/4885ADORA2A 169/4885

“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.

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