SCHEMBL3118772

SCHEMBL3118772

CCCCCn1c(=O)n(CCCNC(=O)Cc2ccccc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.54
▸ ADORA1 P30542 9/20 0.52
▸ ADORA2A P29274 2/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ THRB P10828 1/20 0.45

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
SCHEMBL3119797 0.96 ADORA2B (0.54) ADORA2BADORA1ADORA2ACNR2ADORA3
SCHEMBL3114339 0.92 HPGD (0.50) ADORA2BADORA1ADORA2A
SCHEMBL3117068 0.91 ADORA1 (0.52) ADORA2BADORA1ADORA2AADORA3
SCHEMBL3108609 0.91 HPGD (0.53) ADORA2BADORA1ADORA2ACNR2THRB
SCHEMBL3111169 0.90 ADORA1 (0.48) ADORA2BADORA1ADORA2ACNR2THRB
SCHEMBL3118598 0.88 ADORA2B (0.49) ADORA2BADORA1ADORA2ACNR2ADORA3
SCHEMBL3118030 0.87 TP53 (0.52) ADORA1THRB
SCHEMBL13247653 0.87 ADORA1 (0.53) ADORA2BADORA1ADORA2AADORA3
SCHEMBL3110193 0.87 HPGD (0.50) ADORA2BADORA1ADORA2AADORA3THRB
SCHEMBL3118719 0.86 ADORA1 (0.45) ADORA2BADORA1ADORA2ACNR2ADORA3

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
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — 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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA2B 111/4885ADORA1 32/4885ADORA2A 17/4885

“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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