SCHEMBL2170752

SCHEMBL2170752

CCc1cc2c(Br)ccc(OC)n2n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.52
PDE3A Q14432 10/20 0.52

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
SCHEMBL3217750 0.79 PDE4B (0.50) PDE4BPDE3A
SCHEMBL2959745 0.78 PDE4B (0.52) PDE4BPDE3A
SCHEMBL2960864 0.77 PDE4B (0.63) PDE4BPDE3A
SCHEMBL2968756 0.76 PDE4B (0.54) PDE4BPDE3A
SCHEMBL2968629 0.76 PDE4B (0.61) PDE4BPDE3A
SCHEMBL1941406 0.75 PDE4B (0.41) PDE4BPDE3A
SCHEMBL2172477 0.74 PDE4B (0.53) PDE4BPDE3A
SCHEMBL2172682 0.74 PDE4B (0.57) PDE4BPDE3A
SCHEMBL3219285 0.74 PDE4B (0.59) PDE4BPDE3A
SCHEMBL2956927 0.73 PDE4B (0.61) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP disclosed
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 (2 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 1/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A PDE4B 9/4885PDE3A 3/4885

“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.