SCHEMBL3112709

SCHEMBL3112709

CCCCn1c(=O)n(CCCc2ccccc2)c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
HIF1A Q16665 1/20 0.68
CNOT7 Q9UIV1 8/20 0.65
PDE4A P27815 3/20 0.60
PDE4B Q07343 3/20 0.60
PDE4C Q08493 3/20 0.60
PDE4D Q08499 3/20 0.60
ADORA2B P29275 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ADORA2A P29274 2/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.57
PDE1A P54750 1/20 0.56
PDE1B Q01064 1/20 0.56
PDE1C Q14123 1/20 0.56
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PARN O95453 1/20 0.53

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
SCHEMBL1946890 0.95 POLB (0.67) POLBHIF1ACNOT7PDE4APDE4B
SCHEMBL3615415 0.92 ALDH1A1 (0.63) POLBHIF1ACNOT7PDE4APDE4B
SCHEMBL3186736 0.91 CNOT7 (0.61) POLBHIF1ACNOT7PDE4APDE4B
SCHEMBL3116289 0.88 POLB (0.86) POLBHIF1ACNOT7ADORA2BSMN1; SMN2
SCHEMBL1944712 0.88 POLB (0.70) POLBHIF1ACNOT7PDE4APDE4B
SCHEMBL7604892 0.88 KMT2A (0.61) POLBHIF1ACNOT7PDE4APDE4B
SCHEMBL3106268 0.87 LMNA (0.58) POLBHIF1ACNOT7PDE4APDE4B
SCHEMBL1947257 0.87 POLB (0.83) POLBHIF1ACNOT7ADORA2BSMN1; SMN2
SCHEMBL556098 0.85 PDE1A (0.70) POLBHIF1ACNOT7PDE4APDE4B
SCHEMBL27369794 0.84 KMT2A (0.63) POLBHIF1ACNOT7PDE4APDE4B

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 5 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
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017262-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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 POLB 2628/4885HIF1A 877/4885CNOT7 3608/4885

“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.