SCHEMBL5417314

SCHEMBL5417314

[CH2]C(=O)Nc1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.67
KDM4E B2RXH2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TAAR1 Q96RJ0 2/20 0.57
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.53
JAK2 O60674 3/20 0.53
TYK2 P29597 3/20 0.53
MEN1 O00255 2/20 0.53
BCHE P06276 1/20 0.52
NT5E P21589 1/20 0.50
EPHX1 P07099 1/20 0.50
JAK1 P23458 2/20 0.48
HTT P42858 2/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
CYP3A4 P08684 1/20 0.48
NOD2 Q9HC29 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL9566474 0.82 SMN1; SMN2 (0.46) KDM4EL3MBTL1KMT2AMEN1EPHX1
SCHEMBL10020286 0.80 MDM2 (1.00) MDM2KDM4EL3MBTL1TAAR1GAA
SCHEMBL6061912 0.78 MDM2 (0.70) MDM2KDM4EL3MBTL1TAAR1GAA
SCHEMBL31668740 0.78 MDM2 (0.95) MDM2KDM4EL3MBTL1TAAR1GAA
SCHEMBL1234281 0.78 MDM2 (0.70) MDM2KDM4EL3MBTL1TAAR1GAA
SCHEMBL48610 0.76 TSHR (0.69) MDM2KDM4EL3MBTL1TAAR1GAA
SCHEMBL9297607 0.76 MDM2 (0.67) MDM2KDM4EL3MBTL1TAAR1GAA
SCHEMBL232764 0.76 MDM2 (0.67) MDM2KDM4EL3MBTL1TAAR1GAA
SCHEMBL230957 0.76 MDM2 (0.67) MDM2KDM4EL3MBTL1TAAR1GAA
SCHEMBL26343280 0.76 MDM2 (0.67) MDM2KDM4EL3MBTL1TAAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed
CN-100384852-C Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2008-04-30 CN disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 US disclosed
US-7129249-B2 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2006-10-31 US disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
CN-1653070-A Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-08-10 CN disclosed
CN-1038511-C Imidazopyridine MERCK PATENT GMBH (DE) 1998-05-27 CN disclosed
US-5684015-A ANGIOTENSIN ANTAGONIST AS HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-11-04 US disclosed
EP-0702013-A2 Imidazopyridines MERCK PATENT GmbH (DE) 1996-03-20 EP disclosed
US-5476857-A Imidazopyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-19 US disclosed
CN-1109057-A Imidazopyridazine MERCK PATENT GMBH (DE) 1995-09-27 CN disclosed
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed
EP-0657454-A1 Imidazopyridazines being angiotensin II antagonists MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed
EP-0628556-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
EP-0574846-A2 Imidazopyridines as angiotensin II antagonistes MERCK PATENT GmbH (DE) 1993-12-22 EP 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 (2 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 MDM2 4806/4885KDM4E 3421/4885L3MBTL1 3315/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE MDM2 1250/4885KDM4E 4386/4885L3MBTL1 4113/4885

“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.