SCHEMBL2461286

SCHEMBL2461286

COc1ccc(I)c(F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NNMT P40261 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
DYRK1A Q13627 2/20 0.33
CLK1 P49759 2/20 0.33
TXNRD1 Q16881 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL18774086 0.76 NNMT (0.48) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL18315101 0.76 CYP1A2 (0.44) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL5839510 0.76 POLB (0.50) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL18544282 0.75 CYP1A2 (0.38) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL31541706 0.74 POLB (0.36) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL5925877 0.74 POLB (0.36) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL12677821 0.74 CYP1A2 (0.39) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL22953996 0.74 HTT (0.37) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL13213488 0.74 POLB (0.40) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL5925796 0.74 NNMT (0.39) POLBTDP1NNMTSIRT2SIRT1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590086-B2 3-((1H-pyrazol-4-yl)methyl)-6′-(phenyl)-2H-(1,2′-bipyridin)-2-one derivatives and related compounds as GPR139 antagonists for use in a method of treatment of e.g. depression TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-03-31 US disclosed
US-20230357220-A1 3-((1H-PYRAZOL-4-YL)METHYL)-6′-(PHENYL)-2H-(1,2′-BIPYRIDIN)-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR USE IN A METHOD OF TREATMENT OF E.G. DEPRESSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-11-09 US disclosed
CN-116171276-A 3- ((1H-pyrazol-4-yl) methyl) -6'- (phenyl) -2H- [1,2' -bipyridin ] -2-one derivatives and related compounds as GRP139 antagonists in methods of treating E.G. depression 武田药品工业株式会社 2023-05-26 CN disclosed
EP-4153581-A1 3-((1H-PYRAZOL-4-YL)METHYL)-6'-(PHENYL)-2H-(1,2'-BIPYRIDIN)-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR USE IN A METHOD OF TREATMENT OF E.G. DEPRESSION Takeda Pharmaceutical Company Limited (JP) 2023-03-29 EP disclosed
WO-2021234451-A1 3-((1H-PYRAZOL-4-YL)METHYL)-6'-(PHENYL)-2H-(1,2'-BIPYRIDIN)-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR USE IN A METHOD OF TREATMENT OF E.G. DEPRESSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-25 WO disclosed
US-8759532-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-06-24 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
EP-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 EP disclosed
WO-2010077992-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-07-08 WO disclosed
WO-2010077992-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-07-08 WO disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 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 (4 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-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A POLB 539/4885TDP1 39/4885NNMT 360/4885
US-12590086-B2 3-((1H-pyrazol-4-yl)methyl)-6′-(phenyl)-2H-(1,2′-bipyridin)-2-one derivatives and related compounds as GPR139 antagonists for use in a method of treatment of e.g. depression GPR139, OPRL1, GRIN2C POLB 3999/4885TDP1 1593/4885NNMT 2869/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D POLB 1322/4885TDP1 92/4885NNMT 184/4885
US-20230357220-A1 3-((1H-PYRAZOL-4-YL)METHYL)-6′-(PHENYL)-2H-(1,2′-BIPYRIDIN)-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR USE IN A METHOD OF TREATMENT OF E.G. DEPRESSION GPR139, GPR142, OPRL1 POLB 4529/4885TDP1 1084/4885NNMT 3166/4885

“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.