SCHEMBL264062

SCHEMBL264062

COC(=O)c1nc(C)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
METAP1 P53582 1/20 0.42
S1PR4 O95977 1/20 0.39
LCK P06239 3/20 0.39
BRD9 Q9H8M2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ELANE P08246 1/20 0.38
CTRB1 P17538 1/20 0.38
CYP17A1 P05093 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
BRD4 O60885 1/20 0.36
NR1I2 O75469 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4908993 0.88 BRD4 (0.44) METAP1NPSR1BRD4MEN1KMT2A
SCHEMBL3389491 0.87 METAP1 (0.43) ATRMETAP1LCKBRD9ELANE
SCHEMBL7454010 0.81 ATR (0.41) ATRMETAP1BRD9ELANECTRB1
SCHEMBL20328515 0.81 RAB9A (0.42) S1PR4NPSR1MEN1HTTKMT2A
SCHEMBL21232354 0.78 BRD9 (0.39) ATRMETAP1LCKBRD9ELANE
SCHEMBL4345991 0.77 METAP1 (0.62) ATRMETAP1BRD9CYP17A1RXFP1
SCHEMBL5189642 0.77 ALOX15 (0.41) METAP1NPSR1BRD4NR1I2MEN1
SCHEMBL4908439 0.76 METAP1 (0.45) ATRMETAP1RXFP1MEN1KMT2A
SCHEMBL4908445 0.76 CYP17A1 (0.41) ATRMETAP1BRD9ELANECTRB1
SCHEMBL4909182 0.76 METAP1 (0.45) METAP1LCKNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2008-10-30 US claimed
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
EP-1858854-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP claimed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 US claimed
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
EP-3676261-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Chronos Therapeutics Limited (GB) 2020-07-08 EP disclosed
WO-2019043407-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2019-03-07 WO disclosed
EP-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
WO-2012089606-A1 AZABICYCLO [4.1.0] HEPT - 4 - YL DERIVATIVES AS HUMAN OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-07-05 WO disclosed
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2008-10-30 US disclosed
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
EP-1858854-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 US 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 (5 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-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES CNR2, CNR1, CHRNA2 ATR 3195/4885METAP1 4167/4885S1PR4 722/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ATR 3544/4885METAP1 2980/4885S1PR4 915/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B ATR 4494/4885METAP1 3285/4885S1PR4 829/4885
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders GRM3, GRM2, GRM1 ATR 2234/4885METAP1 2893/4885S1PR4 936/4885
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R ATR 3544/4885METAP1 2980/4885S1PR4 915/4885

“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.