SCHEMBL562705

SCHEMBL562705

CCCCCn1c(=NN=CCC(Cc2ccccc2)NC(=O)O)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.46
▸ PDE4B Q07343 7/20 0.46
▸ PDE4C Q08493 7/20 0.46
▸ PDE4D Q08499 7/20 0.46
▸ ADORA2A P29274 6/20 0.46
▸ PNP P00491 1/20 0.43
▸ ADORA2B P29275 5/20 0.40
▸ ADORA3 P0DMS8 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ MPO P05164 1/20 0.35
▸ TPO P07202 1/20 0.35

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
SCHEMBL10183507 0.80 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL562706 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL562703 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3910873 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3910881 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10182740 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL562761 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL563303 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL563302 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL562704 0.76 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2A

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-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 — — US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 — — 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-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A PDE4A 158/4885PDE4B 333/4885PDE4C 336/4885

“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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