SCHEMBL7654102

SCHEMBL7654102

CCc1ccccc1-n1nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.41
ADORA3 P0DMS8 1/20 0.41
MGLL Q99685 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
ADORA2A P29274 4/20 0.39
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA1 P30542 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
PDE5A O76074 1/20 0.38
BTK Q06187 1/20 0.38
MEN1 O00255 2/20 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
SCHEMBL7652867 0.83 ALDH1A1 (0.48) ADORA2BMGLLHCAR1ADORA2AOPRM1
SCHEMBL7652334 0.80 HCAR1 (0.39) ADORA2BADORA3MGLLHCAR1ADORA2A
SCHEMBL7654345 0.80 GAA (0.40) ADORA3MGLLHCAR1KDM4EALDH1A1
SCHEMBL7650490 0.80 MAPK11 (0.40) ADORA3MGLLHCAR1KDM4EALDH1A1
SCHEMBL7657329 0.79 ADORA3 (0.54) ADORA3MGLLHCAR1ADORA2AKDM4E
SCHEMBL7650664 0.77 ADORA3 (0.44) ADORA2BADORA3ADORA2AKDM4EALDH1A1
SCHEMBL16590395 0.76 MGLL (0.44) ADORA2BADORA3MGLLADORA2AL3MBTL1
SCHEMBL7649183 0.75 CDK4 (0.43) ADORA3HCAR1OPRM1ALDH1A1HSD17B10
SCHEMBL12400717 0.74 ADORA2B (0.48) ADORA2BADORA3ADORA2AKDM4EALDH1A1
SCHEMBL7652937 0.74 TNKS (0.47) ADORA3KDM4EALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US claimed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 US claimed
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 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-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones PARK7, IAPP, HIF1AN ADORA2B 1120/4885ADORA3 1892/4885MGLL 4482/4885

“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.