SCHEMBL4896701

SCHEMBL4896701

CN1C(=O)C(N)Cc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 10/20 0.43
GOT1 P17174 1/20 0.43
KYAT1 Q16773 1/20 0.43
KYAT3 Q6YP21 1/20 0.43
RIPK1 Q13546 4/20 0.41
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL29415730 0.85 RIPK1 (0.45) RIPK1HTR2AHTR2CHTR2BANPEP
SCHEMBL19224595 0.85 RIPK1 (0.45) RIPK1HTR2AHTR2CHTR2BANPEP
SCHEMBL19224616 0.85 RIPK1 (0.45) RIPK1HTR2AHTR2CHTR2BANPEP
SCHEMBL3781360 0.81 AADAT (0.58) AADATGOT1KYAT1KYAT3
Hydrochloric Acid SCHEMBL4895788 0.80 ADRA2A (0.43) AADATGOT1KYAT1KYAT3ADRA2A
SCHEMBL19880659 0.76 HTR2A (0.45) RIPK1ADRA2AADRA2BADRA2CCYP1A2
SCHEMBL8274292 0.76 CRHR1 (0.39) AADATGOT1KYAT1KYAT3ADRA2A
SCHEMBL8274755 0.75 ADORA3 (0.41) AADATGOT1KYAT1KYAT3RIPK1
SCHEMBL19255681 0.75 RIPK1 (0.48) RIPK1
SCHEMBL30449921 0.75 RIPK1 (0.48) RIPK1

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 6 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
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-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
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 AADAT 1441/4885GOT1 760/4885KYAT1 2886/4885

“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.