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Sugi Predict / Compounds / SCHEMBL16110239

SCHEMBL16110239

SCHEMBL16110239

CCOC(=O)C(=CN(C)C)c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.53
▸ CD274 Q9NZQ7 1/20 0.53
▸ CYP2C9 P11712 1/20 0.46
▸ GSK3B P49841 2/20 0.45
▸ GRM5 P41594 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP11B1 P15538 5/20 0.43
▸ CYP11B2 P19099 5/20 0.43
▸ ELANE P08246 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30088421 1.00 PDCD1 (0.53) PDCD1CD274CYP2C9GSK3BGRM5
SCHEMBL23839946 1.00 PDCD1 (0.53) PDCD1CD274CYP2C9GSK3BGRM5
SCHEMBL16110238 1.00 PDCD1 (0.53) PDCD1CD274CYP2C9GSK3BGRM5
SCHEMBL28936576 0.86 CYP11B1 (0.50) GSK3BGRM5CYP11B1CYP11B2ALDH1A1
SCHEMBL3410231 0.85 PDCD1 (0.51) PDCD1CD274CYP2C9GSK3BGRM5
SCHEMBL3410229 0.85 PDCD1 (0.51) PDCD1CD274CYP2C9GSK3BGRM5
SCHEMBL16110488 0.84 CYP2C9 (0.50) PDCD1CD274CYP2C9GSK3BCYP11B1
SCHEMBL16110489 0.84 CYP2C9 (0.50) PDCD1CD274CYP2C9GSK3BCYP11B1
SCHEMBL30144859 0.84 CYP2C9 (0.50) PDCD1CD274CYP2C9GSK3BCYP11B1
SCHEMBL2384136 0.82 CYP2C9 (0.43) CYP2C9ALDH1A1MAPT

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 14 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
CN-105492433-B 6- (5-hydroxy-1H-pyrazol-1-yl) nicotinamide derivatives and their use as PHD inhibitors 武田药品工业株式会社 2018-11-23 — — CN 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
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-02 — — 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

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 PDCD1 4111/4885CD274 4677/4885CYP2C9 3397/4885
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 PDCD1 3882/4885CD274 4639/4885CYP2C9 1507/4885
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 PDCD1 3882/4885CD274 4639/4885CYP2C9 1507/4885
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 PDCD1 3882/4885CD274 4639/4885CYP2C9 1507/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 PDCD1 3882/4885CD274 4639/4885CYP2C9 1507/4885
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 PDCD1 3882/4885CD274 4639/4885CYP2C9 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.