SCHEMBL3611874

SCHEMBL3611874

COc1ccc(Cn2cnc3[nH]c(=O)n(-c4ccccc4OCc4ccccc4)c(=O)c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 6/20 0.52
PARN O95453 1/20 0.52
CSF1R P07333 1/20 0.42
ABCB1 P08183 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK14 Q16539 1/20 0.40
NPC1 O15118 1/20 0.39
HIF1A Q16665 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3621012 0.84 CNOT7 (0.57) CNOT7PARNGAAPOLB
SCHEMBL3609128 0.77 CNOT7 (0.48) CNOT7HIF1APOLBMAPT
SCHEMBL2984842 0.77 CNOT7 (0.54) CNOT7PARNKDM4EBRD4MAPT
SCHEMBL14327687 0.77 CNOT7 (0.53) CNOT7PARNKDM4EGAAMAPT
SCHEMBL2993196 0.76 CNOT7 (0.53) CNOT7PARNKDM4EBRD4MAPT
SCHEMBL7397785 0.73 GRIN1 (0.53) CNOT7PARNBRD4
SCHEMBL18024115 0.72 GRIN1 (0.52) CNOT7PARN
SCHEMBL15293652 0.72 CNOT7 (0.52) CNOT7PARNKDM4EGAAHPGD
SCHEMBL4420441 0.72 CNOT7 (0.72) CNOT7PARNKDM4EGAAHPGD
SCHEMBL7974521 0.71 ADORA3 (0.48) CNOT7PARNKDM4EGAAHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 US disclosed
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 US disclosed
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 US disclosed
EP-1912993-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017265-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017265-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, HCAR1 CNOT7 3355/4885PARN 4372/4885CSF1R 1326/4885

“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.