SCHEMBL4889310

SCHEMBL4889310

CN1C(=O)C(N(C(=O)O)C(C)(C)C)Cc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 15/20 0.41
KMT2A Q03164 1/20 0.34
MTNR1A P48039 1/20 0.34
SRC P12931 1/20 0.33
MYC P01106 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
SCHEMBL3774144 0.88 KMT2A (0.34) RIPK1KMT2AMTNR1AMYC
SCHEMBL4887310 0.85 ADRA2A (0.37) RIPK1KMT2AMTNR1A
SCHEMBL4897077 0.83 RIPK1 (0.38) RIPK1KMT2ASRCMYC
SCHEMBL4895013 0.82 CRHR1 (0.39) RIPK1KMT2A
SCHEMBL4897407 0.81 CYP1A2 (0.39) RIPK1KMT2A
SCHEMBL4895917 0.76 GSK3B (0.37)
Hydrochloric Acid SCHEMBL21496574 0.74 RIPK1 (0.43) RIPK1
Hydrochloric Acid SCHEMBL21496575 0.74 RIPK1 (0.43) RIPK1
SCHEMBL4896701 0.72 AADAT (0.43) RIPK1
SCHEMBL2282815 0.72 SCN9A (0.43) RIPK1KMT2A

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 1 patent. 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

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 RIPK1 3999/4885KMT2A 911/4885MTNR1A 632/4885

“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.