SCHEMBL4663631

SCHEMBL4663631

COC(=O)c1cc(N)c2nc(C)nn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
ADORA2A P29274 10/20 0.41
MAPK14 Q16539 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR8 Q9NR97 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL31309362 0.83 KDM4E (0.41) KDM4EALDH1A1MAPTGLAATM
SCHEMBL31309635 0.83 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL6885011 0.80 ADORA2A (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6883434 0.80 ADORA2A (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4662514 0.80 MAPT (0.46) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6884470 0.79 ADORA2A (0.69) KDM4EALDH1A1HPGDGLAADORA2A
SCHEMBL6871457 0.77 ADORA2A (0.66) GAAADORA2A
SCHEMBL6879422 0.76 ALDH1A1 (0.43) ALDH1A1HPGDADORA2ANPSR1
SCHEMBL6886208 0.76 ADORA2A (0.67) ADORA2A
SCHEMBL6882930 0.76 ADORA2A (0.67) KDM4EALDH1A1MAPTHPGDHSD17B10

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-20080033006-A1 1,2,4-Triazolo[ 1,5-A] Pyridines as Gastric Acid Secretion Inhibitors ALTANA PHARMA AG (DE) 2008-02-07 US disclosed
EP-1711498-A2 1,2,4-TRIAZOLO¬1,5-A|PYRIDINES AS GASTRIC ACID SECRETION INHIBITORS Altana Pharma AG (DE) 2006-10-18 EP disclosed
WO-2005070927-A2 1,2,4-TRIAZOLO[1,5-A] PYRIDINES AS GASTRIC ACID SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2005-08-04 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-20080033006-A1 1,2,4-Triazolo[ 1,5-A] Pyridines as Gastric Acid Secretion Inhibitors CCKBR, GIPR, PGA5 KDM4E 2527/4885ALDH1A1 715/4885MAPT 4732/4885

“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.