SCHEMBL2321719

SCHEMBL2321719

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 3/20 0.53
MAOB P27338 2/20 0.52
MRGPRX4 Q96LA9 2/20 0.52
TDP1 Q9NUW8 3/20 0.51
HSP90AA1 P07900 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NR4A2 P43354 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL5383428 0.89 KMT2A (0.63) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL2909175 0.88 MAOB (0.60) MAOBMRGPRX4NR4A2ALOX5
SCHEMBL20830727 0.87 DHODH (0.57) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL7373666 0.87 ALDH1A1 (0.61) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL2326578 0.87 MEN1 (0.61) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL2323743 0.85 MEN1 (0.55) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL20831008 0.85 ALDH1A1 (0.49) POLBKMT2AALDH1A1MRGPRX4TDP1
SCHEMBL7947250 0.84 TDP1 (0.65) POLBKMT2AMEN1ALDH1A1MAOB
SCHEMBL20830729 0.84 TDP1 (0.59) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL4132618 0.83 ALDH1A1 (0.64) POLBKMT2AMEN1NPC1RAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US disclosed
CN-102369194-A Novel pyrazolone derivatives and their use as PD4 inhibitors NYCOMED GMBH 2012-03-07 CN disclosed
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US disclosed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
CN-101006087-B Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER 2010-09-29 CN disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO disclosed
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
EP-1984363-A1 TRIAZOLOPYRIDINE COMPOUNDS Pfizer Limited (GB) 2008-10-29 EP disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
WO-2007091152-A1 TRIAZOLOPYRIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-08-16 WO disclosed
WO-2007091152-A1 TRIAZOLOPYRIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-08-16 WO disclosed
CN-101006087-A Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER (US) 2007-07-25 CN disclosed
EP-1778686-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS Pfizer Limited (GB) 2007-05-02 EP disclosed
WO-2006018718-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LIMITED (GB) 2006-02-23 WO disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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 (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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 POLB 2000/4885KMT2A 4210/4885MEN1 4865/4885
US-20090012079-A1 Triazolopyridine Compounds MAPKAPK5, MAPK1, MAPK4 POLB 1883/4885KMT2A 4216/4885MEN1 4823/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A POLB 1393/4885KMT2A 3652/4885MEN1 3585/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A POLB 1393/4885KMT2A 3652/4885MEN1 3585/4885

“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.