SCHEMBL5633757

SCHEMBL5633757

Cc1cn2ccc(N(C)C)c(N)c2n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL5633206 0.80 SMPD3 (0.35) SMPD3
SCHEMBL5634860 0.79 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10GAAMAPT
Hydrochloric Acid SCHEMBL8566583 0.77 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10GAAMAPT
SCHEMBL12432819 0.72 ALDH1A1 (0.38) SMPD3ALDH1A1HPGDHSD17B10GAA
SCHEMBL2314068 0.70 ALDH1A1 (0.37) SMPD3ALDH1A1HPGDHSD17B10MAPT
SCHEMBL2313912 0.69 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10MAPTADORA3
SCHEMBL2403951 0.68 DHFR (0.48) ALDH1A1HPGDHSD17B10GAAMAPT
Bromide SCHEMBL9099637 0.67 DHFR (0.47) ALDH1A1HPGDHSD17B10GAAMAPT
Hydrochloric Acid SCHEMBL9081198 0.67 DHFR (0.47) ALDH1A1HPGDHSD17B10GAAMAPT
SCHEMBL25103902 0.65 HTR6 (0.34) ALDH1A1HPGDHSD17B10GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196196-B2 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 US disclosed
US-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 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-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BTN3A1, DHPS, NISCH SMPD3 4780/4885ALDH1A1 498/4885HPGD 294/4885

“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.