SCHEMBL3110193

SCHEMBL3110193

CCCCCn1c(=O)n(CCNC(=O)CCc2ccccc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.50
▸ ADORA1 P30542 6/20 0.47
▸ ADORA2B P29275 4/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ THRB P10828 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ SIRT3 Q9NTG7 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ TP53 P04637 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
SCHEMBL3108609 0.96 HPGD (0.53) HPGDADORA1ADORA2BADORA2ATHRB
SCHEMBL3118030 0.93 TP53 (0.52) HPGDADORA1THRBTP53
SCHEMBL3119797 0.91 ADORA2B (0.54) ADORA1ADORA2BADORA2AADORA3
SCHEMBL3111070 0.90 KDM4E (0.51) HPGDADORA1ADORA2BADORA2ATHRB
SCHEMBL3118772 0.87 ADORA2B (0.54) ADORA1ADORA2BADORA2ATHRBADORA3
SCHEMBL3115779 0.87 ADORA1 (0.54) ADORA1ADORA2BADORA2ATHRBADORA3
SCHEMBL3123551 0.87 THRB (0.47) HPGDADORA1ADORA2BADORA2ATHRB
SCHEMBL3115718 0.86 ADORA2A (0.55) ADORA1ADORA2BADORA2ASIRT1SIRT3
SCHEMBL3123537 0.85 ADORA2B (0.48) HPGDADORA1ADORA2BADORA2AADORA3
SCHEMBL3116713 0.85 ADORA1 (0.54) ADORA1ADORA2BADORA2ATHRBADORA3

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 HPGD 368/4885ADORA1 32/4885ADORA2B 111/4885

“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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