SCHEMBL16108779

SCHEMBL16108779

CCOC(=O)Cn1cc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
NLRP3 Q96P20 2/20 0.45
JAK1 P23458 6/20 0.44
JAK2 O60674 5/20 0.44
TYK2 P29597 4/20 0.44
JAK3 P52333 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL24621132 0.81 AR (0.40) NLRP3KDM4EALDH1A1CYP2C19
SCHEMBL12124191 0.80 ALPI (0.49) JAK1JAK2TYK2JAK3GSK3A
SCHEMBL24506420 0.80 GABRD (0.40) NLRP3MAPTALDH1A1CYP2C19SMN1; SMN2
SCHEMBL23139017 0.79 NLRP3 (0.53) KMT2ANLRP3KDM4EPOLBALDH1A1
SCHEMBL20703132 0.79 NLRP3 (0.53) KMT2ANLRP3KDM4EPOLBALDH1A1
SCHEMBL14125781 0.77 GSK3A (0.44) KMT2AJAK1JAK2TYK2JAK3
SCHEMBL12968057 0.77 GSK3A (0.44) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL14149257 0.77 SMN1; SMN2 (0.44) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL18623452 0.77 GSK3A (0.44) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL14125630 0.77 GSK3A (0.44) JAK1JAK2TYK2JAK3KDM4E

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
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 KMT2A 856/4885NLRP3 378/4885JAK1 2354/4885
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 KMT2A 440/4885NLRP3 471/4885JAK1 1536/4885
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 KMT2A 440/4885NLRP3 471/4885JAK1 1536/4885
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 KMT2A 440/4885NLRP3 471/4885JAK1 1536/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 KMT2A 440/4885NLRP3 471/4885JAK1 1536/4885
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 KMT2A 440/4885NLRP3 471/4885JAK1 1536/4885

“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.