SCHEMBL2171767

SCHEMBL2171767

CNc1ccc(-c2ccc3c(c2)CCNC3=O)c2cc(C(F)(F)F)nn12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.48
PARP11 Q9NR21 9/20 0.48
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
TIPARP Q7Z3E1 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PDE4B Q07343 2/20 0.40
GSK3B P49841 1/20 0.39
MAPKAPK2 P49137 4/20 0.39
PARP1 P09874 1/20 0.39
PDE3A Q14432 1/20 0.38
PRF1 P14222 2/20 0.37
MET P08581 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
SCHEMBL2170938 0.85 PDE4B (0.52) PARP10PARP11PARP15PARP14TIPARP
SCHEMBL2170930 0.81 PARP10 (0.47) PARP10PARP11PARP15PARP14TIPARP
SCHEMBL2173257 0.74 PDE4B (0.40) PDE4BPDE3A
SCHEMBL2173222 0.74 PDE4B (0.54) PDE4BGSK3BMAPKAPK2PDE3A
SCHEMBL7947531 0.73 PDE4B (0.39) PDE4BPDE3A
SCHEMBL2459931 0.72 PDE4B (0.44) PDE4BPDE3A
SCHEMBL2170670 0.72 PDE4B (0.45) PDE4BPDE3A
SCHEMBL2171909 0.70 PDE4B (0.54) PARP10PARP11PDE4BGSK3BMAPKAPK2
SCHEMBL12436121 0.68 PDE4B (0.52) PDE4BPDE3A
SCHEMBL2215699 0.67 PDE4B (0.58) PDE4BPDE3A

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 PARP10 1158/4885PARP11 1448/4885PARP15 1307/4885

“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.