SCHEMBL726536

SCHEMBL726536

CCCc1c2c(nn1-c1ccccc1)c(=O)[nH]c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA3 P0DMS8 8/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
ADORA1 P30542 4/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL731060 0.93 TSHR (0.49) ALDH1A1HPGDMEN1KMT2AADORA3
SCHEMBL728568 0.90 ADORA3 (0.47) ALDH1A1HPGDMEN1KMT2AADORA3
SCHEMBL730873 0.88 ADORA3 (0.45) ADORA3ADORA1
SCHEMBL728613 0.85 ADORA3 (0.47) ALDH1A1ADORA3ADORA1
Hydrochloric Acid SCHEMBL728635 0.84 ADORA3 (0.46) ALDH1A1ADORA3KDM4EADORA1
SCHEMBL728854 0.83 ADORA3 (0.45) ALDH1A1ADORA3KDM4EADORA1
SCHEMBL735233 0.81 KDM4E (0.51) ALDH1A1HPGDADORA3KDM4ETSHR
SCHEMBL730469 0.81 ADORA3 (0.53) HPGDADORA3ADORA1CYP1A2CYP2C19
SCHEMBL722809 0.80 KHK (0.43) ADORA3
SCHEMBL728693 0.80 ADORA3 (0.46) ALDH1A1HPGDKMT2AADORA3KDM4E

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-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 ALDH1A1 1384/4885HPGD 64/4885MEN1 3427/4885

“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.