SCHEMBL3114339

SCHEMBL3114339

CCCCCn1c(=O)n(CCCNC(=O)Cc2ccc(C)cc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.50
▸ ADORA2B P29275 9/20 0.47
▸ ADORA1 P30542 7/20 0.47
▸ ADORA2A P29274 3/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL3117068 0.92 ADORA1 (0.52) ADORA2BADORA1ADORA2APLK1
SCHEMBL3118772 0.92 ADORA2B (0.54) ADORA2BADORA1ADORA2A
SCHEMBL3111169 0.90 ADORA1 (0.48) ADORA2BADORA1ADORA2ATP53
SCHEMBL3115357 0.88 TSHR (0.47) ADORA2BADORA1ADORA2ATSHRL3MBTL1
SCHEMBL3119797 0.88 ADORA2B (0.54) ADORA2BADORA1ADORA2A
SCHEMBL13248174 0.88 ADORA1 (0.44) ADORA2BADORA1ADORA2ATSHRL3MBTL1
SCHEMBL13248141 0.85 TP53 (0.57) TSHRL3MBTL1TP53
SCHEMBL3115385 0.84 ADORA1 (0.49) ADORA2BADORA1ADORA2A
SCHEMBL3108609 0.83 HPGD (0.53) HPGDADORA2BADORA1ADORA2ATP53
SCHEMBL3123551 0.83 THRB (0.47) HPGDADORA2BADORA1ADORA2ATP53

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 368/4885ADORA2B 111/4885ADORA1 32/4885

“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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