SCHEMBL3239752

SCHEMBL3239752

CCCCn1c(=O)n(CCCCN2CCOCC2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.50
▸ ADORA1 P30542 4/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ADORA2B P29275 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ TLR9 Q9NR96 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ SIRT5 Q9NXA8 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
SCHEMBL3119443 0.87 SIRT1 (0.54) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL13247927 0.86 ADORA2B (0.53) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL13247926 0.86 ADORA2B (0.53) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL7031457 0.86 SIRT1 (0.55) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL3120574 0.84 RXFP1 (0.47) ADORA1ADORA2BADORA3ADORA2AHPGD
SCHEMBL837397 0.83 HTR1A (0.52) ADORA1HSD17B10ADORA2BADORA2AMAPK1
SCHEMBL13247833 0.83 TP53 (0.43) TLR7ADORA1HSD17B10TP53ALOX15
SCHEMBL3121598 0.81 ADORA1 (0.53) ADORA1ADORA2BADORA3ADORA2AKMT2A
SCHEMBL3179805 0.81 SIRT1 (0.54) ADORA1HSD17B10ADORA2BADORA3ADORA2A
SCHEMBL838168 0.81 ADORA3 (0.49) ADORA1HSD17B10ADORA2BADORA3ADORA2A

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 TLR7 123/4885ADORA1 32/4885HSD17B10 1026/4885

“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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