SCHEMBL2172029

SCHEMBL2172029

COc1ccc(Br)c2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.50
PDE4B Q07343 3/20 0.47
PDE3A Q14432 2/20 0.47
MAPT P10636 3/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NQO2 P16083 3/20 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
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
GAA P10253 2/20 0.35
PIM1 P11309 2/20 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
SCHEMBL2170731 0.88 PDE4B (0.53) CSNK2A1PDE4BPDE3AMAPTPDE4A
SCHEMBL10840751 0.87 PDE4B (0.57) CSNK2A1PDE4BPDE3AMAPTPDE4A
SCHEMBL30669533 0.82 CSNK2A1 (0.56) CSNK2A1PDE4BPDE3AMAPTMEN1
SCHEMBL29116821 0.82 CSNK2A1 (0.56) CSNK2A1PDE4BPDE3AMAPTMEN1
SCHEMBL13304018 0.79 PDE4B (0.46) CSNK2A1PDE4BPDE3AMAPTPDE4A
SCHEMBL6816893 0.76 MAPT (0.51) CSNK2A1PDE4BPDE3AMAPTMEN1
SCHEMBL20795146 0.76 NQO2 (0.46) CSNK2A1MAPTNQO2CSNK2A2CSNK2B
SCHEMBL2848037 0.75 PDE4B (0.52) CSNK2A1PDE4BPDE3AMAPTPDE4A
SCHEMBL10409117 0.74 PDE4B (0.42) CSNK2A1PDE4BPDE3APDE4APDE4C
SCHEMBL3128212 0.73 PDE4B (0.46) CSNK2A1PDE4BPDE3AMAPTPDE4A

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 16 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-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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 (4 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A CSNK2A1 1026/4885PDE4B 6/4885PDE3A 1/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A CSNK2A1 1350/4885PDE4B 8/4885PDE3A 1/4885
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B CSNK2A1 841/4885PDE4B 6/4885PDE3A 1/4885
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A CSNK2A1 1103/4885PDE4B 12/4885PDE3A 2/4885

“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.