SCHEMBL31659596

SCHEMBL31659596

Cc1cnnc(C(=O)N(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
NQO2 P16083 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
MAP4K1 Q92918 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ATM Q13315 1/20 0.31
LRRK2 Q5S007 1/20 0.31
KDM4A O75164 1/20 0.30
OPRK1 P41145 1/20 0.30
CYP3A4 P08684 1/20 0.30
SPR P35270 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL30318723 0.82 ICAM1 (0.36) HCAR2ALDH1A1ATMCYP3A4
SCHEMBL19297940 0.79 HCAR2 (0.47) HCAR2ALDH1A1ATM
SCHEMBL16094263 0.78 CYP11B1 (0.39) HCAR2ALDH1A1ATM
SCHEMBL30318693 0.78 CYP11B1 (0.39) HCAR2ALDH1A1ATM
SCHEMBL3415008 0.76 PARP1 (0.38) HCAR2ATMLMNA
SCHEMBL30508835 0.69 ALDH1A1 (0.37) MAP4K1ALDH1A1LRRK2OPRK1CYP3A4
SCHEMBL4947098 0.69 ALDH1A1 (0.44) ALDH1A1KDM4ACYP3A4
SCHEMBL30843923 0.68 KDM4A (0.32) MALT1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL25356220 0.68 CYP1A2 (0.35) ALDH1A1ATMLMNA
SCHEMBL26906287 0.68 NQO2 (0.43) NQO2MALT1MAP4K1ALDH1A1KDM4A

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-20250230155-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2025-07-17 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-20250230155-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS CHRM5, CHRM4, CHRM1 HCAR2 419/4885NQO2 429/4885MALT1 2941/4885

“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.