SCHEMBL2212629

SCHEMBL2212629

CCc1ccc2c(-c3cccc4c(=O)[nH]ccc34)ccc(OC)c2n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.54
PDE3A Q14432 1/20 0.54
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
P2RX7 Q99572 4/20 0.40
PRMT1 Q99873 1/20 0.40
TNKS O95271 8/20 0.39
TNKS2 Q9H2K2 8/20 0.39
PARP2 Q9UGN5 4/20 0.39
PARP1 P09874 4/20 0.37
C1R P00736 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2170605 0.82 PDE4B (0.53) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2170836 0.81 PDE4B (0.52) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2170616 0.80 BTK (0.42) PDE4BPDE4APDE4CPDE4DP2RX7
SCHEMBL3122136 0.72 PDE4B (0.56) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2847415 0.70 PDE4B (1.00) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL29613350 0.70 PARP1 (0.56) P2RX7PRMT1TNKSTNKS2PARP2
SCHEMBL1536501 0.70 PARP1 (0.56) P2RX7PRMT1TNKSTNKS2PARP2
SCHEMBL2170590 0.68 PDE4B (0.52) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL3118080 0.68 PDE3A (0.70) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2170898 0.68 PDE4B (0.50) PDE4BPDE3APDE4APDE4CPDE4D

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
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B PDE4B 6/4885PDE3A 1/4885PDE4A 5/4885

“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.