SCHEMBL4894831

SCHEMBL4894831

NC1Cc2cccnc2N(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KAT2B Q92831 1/20 0.40
AADAT Q8N5Z0 4/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.38
RIPK1 Q13546 2/20 0.37
KCNN4 O15554 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.36

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
SCHEMBL8274762 0.81 CYP1A2 (0.48) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4897081 0.81 CYP1A2 (0.44) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL5315126 0.81 CYP1A2 (0.41) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4898514 0.81 CYP1A2 (0.47) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL8274292 0.80 CRHR1 (0.39) KMT2AMEN1AADAT
Hydrochloric Acid SCHEMBL4894849 0.79 CRHR1 (0.38) KMT2AMEN1AADAT
SCHEMBL5310029 0.78 CYP1A2 (0.41) CYP1A2CYP2C19KMT2AMEN1RIPK1
SCHEMBL5310034 0.78 CYP1A2 (0.41) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4895788 0.78 ADRA2A (0.43) KMT2AMEN1ALDH1A1AADATTP53
SCHEMBL4897407 0.77 CYP1A2 (0.39) CYP1A2CYP2C19KMT2AMEN1ALDH1A1

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 CYP1A2 313/4885CYP2C19 227/4885KMT2A 911/4885

“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.