SCHEMBL20101130

SCHEMBL20101130

Cc1cc2nn(C)c(C)c2cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ BTK Q06187 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
SCHEMBL17348186 0.82 ADORA2A (0.41) ADORA2AADORA2BCHRM4BTK
SCHEMBL13106328 0.74 ADORA2A (0.35) ADORA2AADORA2BCHRM4BTK
SCHEMBL13106332 0.74 L3MBTL1 (0.42) ADORA2AADORA2BCHRM4
SCHEMBL13106286 0.72 L3MBTL1 (0.43) ADORA2AADORA2BCHRM4
SCHEMBL13106281 0.72 CHRM4 (0.38) ADORA2AADORA2BCHRM4BTK
SCHEMBL13106185 0.69 CHRM4 (0.39) ADORA2AADORA2BCHRM4
SCHEMBL17348190 0.69 NOS3 (0.35) ADORA2AADORA2BCHRM4BTK
SCHEMBL10151108 0.69 DHFR (0.31) ADORA2AADORA2BBTK
SCHEMBL13335949 0.67 POLB (0.46) —
SCHEMBL24393044 0.67 PDE10A (0.51) —

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-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 — — 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-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ADORA2A 1421/4885ADORA2B 2406/4885CHRM4 4095/4885

“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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