SCHEMBL16109656

SCHEMBL16109656

Cc1c(C#N)ccc(B2OC(C)(C)C(C)(C)O2)c1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.35
ESR2 Q92731 1/20 0.34
LPL P06858 3/20 0.33
LIPG Q9Y5X9 3/20 0.33
JAK2 O60674 3/20 0.31
BTK Q06187 3/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL16110183 0.85 AR (0.39) ARESR2LPLLIPGJAK2
SCHEMBL17698755 0.85 JAK2 (0.39) ESR2LPLLIPGJAK2BTK
SCHEMBL12703333 0.83 LPL (0.42) LPLLIPGJAK2BTK
SCHEMBL16109829 0.83 IMPDH2 (0.31) ARESR2
SCHEMBL21592307 0.79 LPL (0.39) ARESR2LPLLIPG
SCHEMBL23631403 0.78 ESR2 (0.33) ESR2LPLLIPGJAK2BTK
SCHEMBL1495731 0.78 ESR2 (0.33) ARESR2LPLLIPG
SCHEMBL30905966 0.78 ESR2 (0.33) ARESR2LPLLIPG
SCHEMBL18230306 0.78 AR (0.34) ARESR2LPLLIPG
SCHEMBL9988818 0.77 IMPDH2 (0.44) ARLPLLIPG

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
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
EP-2978752-B1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-11-29 EP 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 AR 4031/4885ESR2 4558/4885LPL 3594/4885
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 AR 2897/4885ESR2 1533/4885LPL 4453/4885
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 AR 2897/4885ESR2 1533/4885LPL 4453/4885
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 AR 2897/4885ESR2 1533/4885LPL 4453/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 AR 2897/4885ESR2 1533/4885LPL 4453/4885
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 AR 2897/4885ESR2 1533/4885LPL 4453/4885

“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.