SCHEMBL2170731

SCHEMBL2170731

COc1ccc(Br)c2nc(C(F)(F)F)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.53
PDE3A Q14432 2/20 0.53
CSNK2A1 P68400 2/20 0.50
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MAPT P10636 3/20 0.44
NQO2 P16083 2/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
GAA P10253 2/20 0.35
PIM1 P11309 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AMY1A P0DUB6 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2172029 0.88 CSNK2A1 (0.50) PDE4BPDE3ACSNK2A1PDE4APDE4C
SCHEMBL10840751 0.87 PDE4B (0.57) PDE4BPDE3ACSNK2A1PDE4APDE4C
SCHEMBL30669533 0.82 CSNK2A1 (0.56) PDE4BPDE3ACSNK2A1MAPTMEN1
SCHEMBL29116821 0.82 CSNK2A1 (0.56) PDE4BPDE3ACSNK2A1MAPTMEN1
SCHEMBL20765031 0.76 NQO2 (0.46) CSNK2A1MAPTNQO2MEN1KMT2A
SCHEMBL6816898 0.76 CSNK2A1 (0.50) PDE4BPDE3ACSNK2A1MAPTMEN1
SCHEMBL9688854 0.74 PDE4B (0.47) PDE4BPDE3ACSNK2A1PDE4APDE4C
SCHEMBL13304018 0.74 PDE4B (0.46) PDE4BPDE3ACSNK2A1PDE4APDE4C
SCHEMBL6957142 0.72 NPSR1 (0.49) PDE4BPDE3ACSNK2A1PDE4APDE4C
SCHEMBL30096868 0.71 TBK1 (0.42) PDE3AMAPTNQO2GAAPIM1

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 7 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
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US disclosed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP disclosed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 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 1/4885CSNK2A1 841/4885
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A PDE4B 12/4885PDE3A 2/4885CSNK2A1 1103/4885

“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.