SCHEMBL4895749

SCHEMBL4895749

CN1C(=O)C(N(C)C(=O)O)Cc2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.39
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CCKBR P32239 3/20 0.34
CCKAR P32238 1/20 0.34
MYC P01106 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
GAA P10253 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL4897077 0.85 RIPK1 (0.38) RIPK1ADORA3ADORA2AADORA1CCKBR
SCHEMBL8274324 0.84 POLB (0.36) RIPK1ADORA3ADORA2AADORA1
SCHEMBL5396473 0.75 RIPK1 (0.48) RIPK1CCKBR
SCHEMBL8274307 0.74 DPP4 (0.41) RIPK1
SCHEMBL4899283 0.74 SCN9A (0.38) RIPK1CCKBRCCKAR
SCHEMBL8274755 0.74 ADORA3 (0.41) RIPK1ADORA3ADORA2AADORA1MEN1
Hydrochloric Acid SCHEMBL4889639 0.74 DPP4 (0.41) RIPK1
Hydrochloric Acid SCHEMBL4899317 0.72 ADORA3 (0.40) RIPK1ADORA3ADORA2AADORA1MEN1
Hydrochloric Acid SCHEMBL4892564 0.72 ADORA3 (0.40) RIPK1ADORA3ADORA2AADORA1MEN1
SCHEMBL19207718 0.72 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 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 3999/4885ADORA3 342/4885ADORA2A 840/4885

“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.