SCHEMBL562703

SCHEMBL562703

CCCCCn1/c(=N/N=C\CCN(Cc2ccccc2)C(=O)O)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.46
▸ PDE4B Q07343 6/20 0.46
▸ PDE4C Q08493 6/20 0.46
▸ PDE4D Q08499 6/20 0.46
▸ ADORA2A P29274 6/20 0.46
▸ PNP P00491 1/20 0.44
▸ ADORA2B P29275 6/20 0.41
▸ ADORA3 P0DMS8 4/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL562706 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL563302 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL563303 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10183507 0.81 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3910873 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3910881 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL562705 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10182740 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL562761 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL4011239 0.78 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.

Send feedback