SCHEMBL3115357

SCHEMBL3115357

CCCCCn1c(=O)n(CCCNC(=O)NCc2ccc(C)cc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TP53 P04637 2/20 0.44
▸ ADORA1 P30542 10/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL3118598 0.92 ADORA2B (0.49) TP53ADORA1ADORA2AADORA2BADORA3
SCHEMBL3121547 0.90 ADORA1 (0.44) SMN1; SMN2TP53ADORA1ADORA2AADORA2B
SCHEMBL13248141 0.88 TP53 (0.57) TSHRL3MBTL1SMN1; SMN2TP53RXFP1
SCHEMBL3114339 0.88 HPGD (0.50) TSHRL3MBTL1TP53ADORA1ADORA2A
SCHEMBL13248174 0.87 ADORA1 (0.44) TSHRL3MBTL1SMN1; SMN2ADORA1ADORA2A
SCHEMBL13248170 0.86 SMN1; SMN2 (0.45) TSHRL3MBTL1SMN1; SMN2TP53ADORA1
SCHEMBL13248161 0.86 SMN1; SMN2 (0.45) TSHRL3MBTL1SMN1; SMN2TP53ADORA1
SCHEMBL3108428 0.84 ADORA2B (0.48) TSHRL3MBTL1SMN1; SMN2TP53ADORA1
SCHEMBL3115385 0.84 ADORA1 (0.49) ADORA1ADORA2AADORA2BADORA3
SCHEMBL13248164 0.81 TP53 (0.46) SMN1; SMN2TP53ADORA1ADORA2AADORA2B

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 TSHR 430/4885L3MBTL1 3898/4885SMN1; SMN2 761/4885

“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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