SCHEMBL5656859

SCHEMBL5656859

COC(=O)c1cc(N)c2nnc(C)n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPT P10636 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 2/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL20345418 0.78 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4165967 0.78 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5654162 0.78 MAPT (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Bromide SCHEMBL4880840 0.77 CYP3A4 (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL16828801 0.74 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL31309742 0.73 MAPT (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4663631 0.72 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL18744225 0.72 ATAD2 (0.37) KDM4EALDH1A1MAPTGAAATAD2
SCHEMBL16829238 0.72 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20160086 0.69 ATAD2 (0.36) ATAD2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167427-A1 1,2,4-Triazolo[4,3-a]pyridines useful in the treatment of gastrointestinal disorders ALTANA PHARMA AG (DE) 2007-07-19 US disclosed
EP-1718646-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINES USEFUL IN THE TREATMENT OF GASTROINTESTINAL DISORDERS Altana Pharma AG (DE) 2006-11-08 EP disclosed
WO-2005077947-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINES USEFUL IN THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA PHARMA AG (DE) 2005-08-25 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-20070167427-A1 1,2,4-Triazolo[4,3-a]pyridines useful in the treatment of gastrointestinal disorders GIPR, SLC10A2, GRPR KDM4E 2708/4885ALDH1A1 782/4885MAPT 4217/4885

“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.