SCHEMBL4067691

SCHEMBL4067691

NC1Cc2ncccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
BRD4 O60885 1/20 0.34
RIPK1 Q13546 2/20 0.34
DDB1 Q16531 3/20 0.33
CRBN Q96SW2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BRPF1 P55201 1/20 0.33
CREBBP Q92793 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL20278981 1.00 GSK3B (0.41) GSK3BSMN1; SMN2CYP1A2PDE3BPDE3A
Hydrochloric Acid SCHEMBL28588732 0.98 GSK3B (0.40) GSK3BSMN1; SMN2CYP1A2PDE3BPDE3A
Hydrochloric Acid SCHEMBL4073011 0.98 GSK3B (0.40) GSK3BSMN1; SMN2CYP1A2PDE3BPDE3A
SCHEMBL20262441 0.84 RIPK1 (0.41) GSK3BSMN1; SMN2CYP1A2BRD4RIPK1
SCHEMBL20262379 0.84 RIPK1 (0.41) GSK3BSMN1; SMN2CYP1A2BRD4RIPK1
SCHEMBL20262389 0.84 RIPK1 (0.41) GSK3BSMN1; SMN2CYP1A2BRD4RIPK1
SCHEMBL8274742 0.80 GSK3B (0.47) GSK3BSMN1; SMN2CYP1A2PDE3BPDE3A
SCHEMBL31213760 0.80 GSK3B (0.41) GSK3BSMN1; SMN2CYP1A2PDE3BPDE3A
SCHEMBL29073364 0.75 GSK3B (0.38) GSK3BSMN1; SMN2CYP1A2BRD4RIPK1
SCHEMBL4067762 0.73 GSK3B (0.44) GSK3BSMN1; SMN2CYP1A2CRBN

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-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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US 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
EP-1758863-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES AstraZeneca AB (SE) 2007-03-07 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
WO-2006059164-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-08 WO disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
EP-1483270-A1 HETEROCYCLIC AMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN PHOSPHORYLASE Astrazeneca AB (SE) 2004-12-08 EP disclosed
WO-2003074532-A1 HETEROCYCLIC AMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN PHOSPHORYLASE ASTRAZENECA AB (SE) 2003-09-12 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 (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 GSK3B 52/4885SMN1; SMN2 1237/4885CYP1A2 873/4885
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 GSK3B 3463/4885SMN1; SMN2 3651/4885CYP1A2 1042/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 GSK3B 1748/4885SMN1; SMN2 4583/4885CYP1A2 313/4885

“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.