SCHEMBL16110424

SCHEMBL16110424

NNc1ccc(C(=O)NCc2ccccc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ HPGDS O60760 5/20 0.64
▸ ALOX15 P16050 1/20 0.59
▸ EPHX2 P34913 1/20 0.57
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ RPS6KA5 O75582 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PRKCG P05129 1/20 0.52
▸ PRKACA P17612 1/20 0.52
▸ RPS6KB1 P23443 1/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ PRKX P51817 1/20 0.52
▸ PRKCD Q05655 1/20 0.52

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
SCHEMBL25678192 0.83 CA2 (0.53) L3MBTL1HPGDSEPHX2CA2
SCHEMBL16109524 0.83 EPHX2 (0.56) L3MBTL1EPHX2ROCK2ROCK1
SCHEMBL13450997 0.82 L3MBTL1 (0.69) L3MBTL1HPGDSALOX15EPHX2HDAC2
SCHEMBL25677914 0.81 HPGDS (0.46) L3MBTL1HPGDSALOX15ROCK2ROCK1
SCHEMBL18511954 0.81 HDAC1 (0.55) L3MBTL1HPGDSHDAC2HDAC8HDAC6
SCHEMBL22893169 0.81 HPGDS (0.46) L3MBTL1HPGDSALOX15EPHX2HDAC2
SCHEMBL13210567 0.81 L3MBTL1 (0.76) L3MBTL1HPGDSALOX15EPHX2HDAC2
SCHEMBL10077690 0.81 L3MBTL1 (0.71) L3MBTL1HPGDSALOX15EPHX2HDAC2
SCHEMBL217496 0.80 NNMT (0.49) L3MBTL1HDAC6CA2LMNAMAPT
SCHEMBL25044558 0.79 L3MBTL1 (0.69) L3MBTL1HPGDSALOX15EPHX2HDAC2

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 L3MBTL1 4186/4885HPGDS 433/4885ALOX15 2762/4885
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 L3MBTL1 4653/4885HPGDS 75/4885ALOX15 1628/4885
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 L3MBTL1 4653/4885HPGDS 75/4885ALOX15 1628/4885
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 L3MBTL1 4653/4885HPGDS 75/4885ALOX15 1628/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 L3MBTL1 4653/4885HPGDS 75/4885ALOX15 1628/4885
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 L3MBTL1 4653/4885HPGDS 75/4885ALOX15 1628/4885

“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.

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