SCHEMBL728644

SCHEMBL728644

CCCCc1c2c(nn1-c1ccccc1)c(Cl)nc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ADORA1 P30542 1/20 0.39
TLR8 Q9NR97 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
PARP1 P09874 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
SCHEMBL728873 0.87 HPGD (0.44) TLR7MAPTHPGDL3MBTL1ADORA3
SCHEMBL728896 0.78 HPGD (0.38) MAPTHPGDL3MBTL1ADORA3LMNA
SCHEMBL729372 0.78 HPGD (0.61) MAPTHPGDL3MBTL1ADORA3ADORA1
SCHEMBL729045 0.78 LMNA (0.43) MAPTHPGDLMNAMAPK1
SCHEMBL731078 0.77 KHK (0.44)
Hydrochloric Acid SCHEMBL729354 0.76 KHK (0.43)
SCHEMBL731060 0.74 TSHR (0.49) HPGDADORA3PARP1
SCHEMBL29043091 0.72 CNR2 (0.48) TLR7TLR8LMNA
SCHEMBL1921110 0.72 CNR2 (0.48) TLR7TLR8LMNA
SCHEMBL730935 0.71 KDM4E (0.37) TLR7MAPTL3MBTL1TLR8MAPK1

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 TLR7 105/4885MAPT 4124/4885HPGD 64/4885

“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.