SCHEMBL4894657

SCHEMBL4894657

N[C@H]1Cc2cccnc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
IDH1 O75874 7/20 0.39
ANPEP P15144 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
AADAT Q8N5Z0 2/20 0.35
GOT1 P17174 1/20 0.35
KYAT1 Q16773 1/20 0.35
KYAT3 Q6YP21 1/20 0.35
CRBN Q96SW2 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
SCHEMBL4067762 1.00 GSK3B (0.44) GSK3BIDH1ANPEPADRA2AADRA2B
SCHEMBL4899381 1.00 GSK3B (0.44) GSK3BIDH1ANPEPADRA2AADRA2B
Hydrochloric Acid SCHEMBL31278251 0.98 GSK3B (0.43) GSK3BIDH1ANPEPADRA2AADRA2B
Hydrochloric Acid SCHEMBL4069595 0.98 GSK3B (0.43) GSK3BIDH1ANPEPADRA2AADRA2B
SCHEMBL29415789 0.84 ANPEP (0.42) GSK3BIDH1ANPEPCRBN
SCHEMBL22509084 0.84 ANPEP (0.42) GSK3BIDH1ANPEPCRBN
SCHEMBL8621250 0.84 ANPEP (0.42) GSK3BIDH1ANPEPCRBN
SCHEMBL8274744 0.80 GSK3B (0.51) GSK3BIDH1ADRA2AADRA2BADRA2C
SCHEMBL24408273 0.75 SMYD3 (0.32)
Hydrochloric Acid SCHEMBL30546650 0.74 GSK3B (0.37) GSK3BIDH1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 GSK3B 1748/4885IDH1 582/4885ANPEP 385/4885

“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.