SCHEMBL4894631

SCHEMBL4894631

N[C@@H](CC(=O)NC1Cc2cnccc2NC1=O)Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.36
BRD3 Q15059 2/20 0.36
DPP4 P27487 3/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
GPR142 Q7Z601 1/20 0.35
FAP Q12884 1/20 0.35
POLB P06746 1/20 0.34
RIPK1 Q13546 1/20 0.33
TP53 P04637 1/20 0.33
BCL2L11 O43521 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
AKT1 P31749 3/20 0.33
CDK2 P24941 2/20 0.33
APOL1 O14791 2/20 0.33
CDK1 P06493 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 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
SCHEMBL4894646 1.00 ROCK2 (0.36) ROCK2BRD3DPP4DPP7DPP8
SCHEMBL4894638 1.00 ROCK2 (0.36) ROCK2BRD3DPP4DPP7DPP8
SCHEMBL4897751 0.93 LMNA (0.36) ROCK2BRD3DPP4DPP7DPP8
SCHEMBL4897741 0.93 LMNA (0.36) ROCK2BRD3DPP4DPP7DPP8
SCHEMBL4897731 0.93 LMNA (0.36) ROCK2BRD3DPP4DPP7DPP8
SCHEMBL4894196 0.87 DPP4 (0.47) ROCK2DPP4DPP7DPP8DPP9
SCHEMBL4887407 0.85 DPP4 (0.44) DPP4DPP7DPP8DPP9
SCHEMBL4887396 0.85 DPP4 (0.44) DPP4DPP7DPP8DPP9
SCHEMBL4887434 0.85 DPP4 (0.44) DPP4DPP7DPP8DPP9
SCHEMBL4895849 0.84 P2RX7 (0.39) BRD3DPP4DPP7DPP8DPP9

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 9 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 claimed
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 claimed
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 claimed
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 ROCK2 4056/4885BRD3 237/4885DPP4 1/4885

“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.