SCHEMBL2171909

SCHEMBL2171909

COc1ccc(-c2ccc3c(c2)CCNC3=O)c2cc(C3CC3)nn12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.54
PDE3A Q14432 2/20 0.54
MAPKAPK2 P49137 4/20 0.45
PARP10 Q53GL7 8/20 0.44
PARP11 Q9NR21 8/20 0.44
MAPK1 P28482 1/20 0.43
GSK3B P49841 1/20 0.42
PDE4D Q08499 1/20 0.41
GRM5 P41594 1/20 0.40

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 0.86 PDE4B (0.52) PDE4BPDE3AMAPKAPK2PARP10PARP11
SCHEMBL2173651 0.76 PDE4B (0.53) PDE4BPDE3APDE4D
SCHEMBL2173222 0.75 PDE4B (0.54) PDE4BPDE3AMAPKAPK2GSK3B
SCHEMBL2231876 0.74 PDE4B (0.48) PDE4BPDE3A
SCHEMBL2170763 0.73 PARP10 (0.47) MAPKAPK2PARP10PARP11MAPK1GSK3B
SCHEMBL2171767 0.70 PARP10 (0.48) PDE4BPDE3AMAPKAPK2PARP10PARP11
SCHEMBL2215699 0.70 PDE4B (0.58) PDE4BPDE3A
SCHEMBL8161680 0.69 PARP11 (0.68) MAPKAPK2PARP10PARP11GSK3BGRM5
SCHEMBL7945713 0.69 PDE4B (0.53) PDE4BPDE3A
SCHEMBL12230826 0.68 PARP10 (0.56) MAPKAPK2PARP10PARP11GRM5

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 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

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 1/4885MAPKAPK2 888/4885

“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.