SCHEMBL2170605

SCHEMBL2170605

CCc1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)ccc(OC)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.53
PDE3A Q14432 2/20 0.53
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PRKCQ Q04759 1/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAP3K11 Q16584 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL2170836 0.93 PDE4B (0.52) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2212629 0.82 PDE4B (0.54) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2170629 0.81 DYRK1A (0.44) PRKACAPRKACGPRKACBPRKCQNPC1
SCHEMBL2170590 0.80 PDE4B (0.52) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2171073 0.76 PDE3A (0.53) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2171777 0.75 PDE3A (0.52) PDE4BPDE3ANPC1MEN1RAB9A
SCHEMBL2171957 0.72 GLO1 (0.43) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL3122136 0.70 PDE4B (0.56) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2847415 0.69 PDE4B (1.00) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL18238676 0.67 PARP1 (0.44) PDE4BPDE3APIM1PIM2PARP1

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 4 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
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 1/4885PRKACA 126/4885

“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.