SCHEMBL2170938

SCHEMBL2170938

COc1ccc(-c2ccc3c(c2)CCNC3=O)c2cc(C(F)(F)F)nn12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.52
PDE3A Q14432 8/20 0.52
PARP10 Q53GL7 5/20 0.47
PARP11 Q9NR21 5/20 0.47
MAPKAPK2 P49137 1/20 0.44
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
TIPARP Q7Z3E1 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42

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
SCHEMBL2173222 0.90 PDE4B (0.54) PDE4BPDE3AMAPKAPK2
SCHEMBL2171909 0.86 PDE4B (0.54) PDE4BPDE3APARP10PARP11MAPKAPK2
SCHEMBL2171767 0.85 PARP10 (0.48) PDE4BPDE3APARP10PARP11MAPKAPK2
SCHEMBL12436121 0.84 PDE4B (0.52) PDE4BPDE3A
SCHEMBL2215699 0.82 PDE4B (0.58) PDE4BPDE3A
SCHEMBL2170456 0.82 PDE4B (0.50) PDE4BPDE3A
SCHEMBL2171205 0.81 PDE4B (0.54) PDE4BPDE3A
SCHEMBL12436123 0.81 PDE4B (0.51) PDE4BPDE3A
SCHEMBL2170691 0.80 PDE4B (0.55) PDE4BPDE3A
SCHEMBL2170763 0.80 PARP10 (0.47) PARP10PARP11MAPKAPK2PARP15PARP14

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
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP claimed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US claimed
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
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 1/4885PARP10 1158/4885

“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.