SCHEMBL13247669

SCHEMBL13247669

CCCCCn1c(=O)n(CCCOC(=O)NCc2ccccc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.50
▸ ADORA2B P29275 7/20 0.50
▸ ADORA1 P30542 5/20 0.50
▸ ADORA3 P0DMS8 3/20 0.50
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 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
SCHEMBL13248160 0.96 ADORA2A (0.50) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL13248170 0.92 SMN1; SMN2 (0.45) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL13248178 0.91 ADORA2A (0.46) ADORA2AADORA2BADORA1ADORA3
SCHEMBL13248169 0.91 RXFP1 (0.46) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL4841188 0.91 ADORA1 (0.43) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL13248172 0.89 THRB (0.44) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL13248161 0.89 SMN1; SMN2 (0.45) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL13248182 0.88 PCK1 (0.49) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL13248163 0.88 ADORA1 (0.45) ADORA2AADORA2BADORA1ADORA3
SCHEMBL13248234 0.88 ADORA1 (0.45) ADORA2AADORA2BADORA1ADORA3

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 2 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

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 ADORA2A 17/4885ADORA2B 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.

Send feedback