SCHEMBL4064369

SCHEMBL4064369

COC(=O)CN1C(=O)C(N)Cc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 4/20 0.54
KYAT1 Q16773 2/20 0.54
KYAT3 Q6YP21 2/20 0.54
GOT1 P17174 1/20 0.54
PYGL P06737 1/20 0.52
OPRL1 P41146 3/20 0.47
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4065939 1.00 AADAT (0.54) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL4064371 1.00 AADAT (0.54) AADATKYAT1KYAT3GOT1PYGL
Hydrochloric Acid SCHEMBL4802360 0.99 AADAT (0.52) AADATKYAT1KYAT3GOT1PYGL
Hydrochloric Acid SCHEMBL4802376 0.99 AADAT (0.52) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL2222575 0.87 OPRL1 (0.50) OPRL1
SCHEMBL9690349 0.87 CCKBR (0.52) AADATKYAT1KYAT3GOT1
SCHEMBL7356369 0.87 OPRL1 (0.50) OPRL1
SCHEMBL4073290 0.84 AADAT (0.48) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL4891481 0.83 AADAT (0.59) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL5629021 0.83 AADAT (0.55) AADATKYAT1KYAT3GOT1PYGL

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
EP-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 EP disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
EP-1819332-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 EP 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-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-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 US disclosed
WO-2006059164-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-08 WO disclosed
US-20050131016-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-06-16 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 (3 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 AADAT 3906/4885KYAT1 2912/4885KYAT3 1619/4885
US-20050131016-A1 Chemical compounds PYGL, GYS1, CA9 AADAT 4049/4885KYAT1 2857/4885KYAT3 2239/4885
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 AADAT 426/4885KYAT1 542/4885KYAT3 1050/4885

“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.