SCHEMBL2824399

SCHEMBL2824399

CCOC(=O)Cn1ccc(=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
GSK3A P49840 2/20 0.53
GSK3B P49841 2/20 0.53
ALDH1A1 P00352 3/20 0.51
PIN1 Q13526 1/20 0.51
PIN4 Q9Y237 1/20 0.51
ELANE P08246 1/20 0.46
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9208101 0.81 KDM4E (0.49) ALDH1A1MAPTHTTHSD17B10KDM4E
SCHEMBL2337869 0.80 GSK3A (0.50) CA12CA9CA2CA1GSK3A
SCHEMBL19500092 0.76 ALDH1A1 (0.47) ALDH1A1CYP2C19MAPTHSD17B10MEN1
SCHEMBL3733259 0.76 CA12 (0.55) CA12CA9CA2CA1GSK3A
SCHEMBL29266177 0.75 LPO (0.42) CA12CA9CA2CA1GSK3A
SCHEMBL16160299 0.74 KMT2A (0.42) CA12CA9CA2CA1ALDH1A1
SCHEMBL19509379 0.74 ALDH1A1 (0.35) CA12CA9CA2CA1ALDH1A1
SCHEMBL1126874 0.74 CA12 (0.52) CA12CA9CA2CA1ALDH1A1
SCHEMBL9734939 0.71 AKR1B1 (0.50) CA12CA9ALDH1A1MAPTHSD17B10
SCHEMBL1988320 0.71 ALDH1A1 (0.66) GSK3AGSK3BALDH1A1PIN1PIN4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA CALIFORNIA, INC. 2018-07-05 US disclosed
EP-3336084-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2018-06-20 EP disclosed
US-9944626-B2 6-(5-hydroxy-1H-pyrazol-1-YL)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 US disclosed
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA CALIFORNIA, INC. 2017-09-28 US disclosed
US-9708296-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-18 US disclosed
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
US-9345713-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20150224113-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-08-13 US disclosed
US-9040522-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-26 US disclosed
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-02 US disclosed
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
EP-0209751-B1 CEPHALOSPORIN DERIVATIVES AND BACTERICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1992-09-16 EP disclosed
US-4758557-A Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA, LTD. (JP) 1988-07-19 US disclosed
EP-0209751-A2 Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-01-28 EP 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 (7 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-20150224113-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD SIRT1, SIRT3, SIRT5 CA12 3642/4885CA9 3106/4885CA2 610/4885
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 CA12 3944/4885CA9 1544/4885CA2 1076/4885
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 CA12 3944/4885CA9 1544/4885CA2 1076/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 CA12 4685/4885CA9 3861/4885CA2 2603/4885
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 CA12 3944/4885CA9 1544/4885CA2 1076/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 CA12 3944/4885CA9 1544/4885CA2 1076/4885
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 CA12 3944/4885CA9 1544/4885CA2 1076/4885

“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.