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Sugi Predict / Compounds / SCHEMBL16110296

SCHEMBL16110296

SCHEMBL16110296

CCOC(=O)C(=CN(C)C)c1ccc(C#N)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 9/20 0.45
▸ CYP11B2 P19099 6/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ DNTT P04053 1/20 0.36

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
SCHEMBL16110295 1.00 CYP11B1 (0.45) CYP11B1CYP11B2CYP2C9PDCD1CD274
SCHEMBL30144843 0.88 CYP11B1 (0.46) CYP11B1CYP11B2CYP2C9PDCD1CD274
SCHEMBL23839934 0.88 CYP11B1 (0.46) CYP11B1CYP11B2CYP2C9PDCD1CD274
SCHEMBL28950227 0.87 CYP11B1 (0.45) CYP11B1CYP11B2CYP2C9PDCD1CD274
SCHEMBL30195828 0.86 CYP11B1 (0.47) CYP11B1CYP11B2FLT1FLT4KDR
SCHEMBL23842714 0.86 CYP11B1 (0.47) CYP11B1CYP11B2FLT1FLT4KDR
SCHEMBL16109830 0.86 CYP11B1 (0.47) CYP11B1CYP11B2CYP2C9PDCD1CD274
SCHEMBL16109832 0.86 CYP11B1 (0.47) CYP11B1CYP11B2CYP2C9PDCD1CD274
SCHEMBL16109865 0.85 CYP11B1 (0.43) CYP11B1CYP11B2CYP2C9PDCD1CD274
SCHEMBL16109866 0.85 CYP11B1 (0.43) CYP11B1CYP11B2CYP2C9PDCD1CD274

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 13 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
EP-2978752-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2016-02-03 — — EP 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
WO-2014160810-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-02 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 CYP11B1 648/4885CYP11B2 545/4885CYP2C9 3397/4885
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 CYP11B1 230/4885CYP11B2 288/4885CYP2C9 1507/4885
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 CYP11B1 230/4885CYP11B2 288/4885CYP2C9 1507/4885
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 CYP11B1 230/4885CYP11B2 288/4885CYP2C9 1507/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 CYP11B1 230/4885CYP11B2 288/4885CYP2C9 1507/4885
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 CYP11B1 230/4885CYP11B2 288/4885CYP2C9 1507/4885

“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.