SCHEMBL728873

SCHEMBL728873

CCc1c2c(nn1-c1ccccc1)c(Cl)nc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A3 Q92570 1/20 0.39
MPO P05164 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ESR2 Q92731 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRA2 P47869 2/20 0.34
AKR1B10 O60218 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL728644 0.87 TLR7 (0.41) HPGDL3MBTL1MAPTMAPK1LMNA
SCHEMBL728896 0.82 HPGD (0.38) HPGDL3MBTL1MAPTALDH1A1LMNA
SCHEMBL729372 0.82 HPGD (0.61) HPGDL3MBTL1MAPTALDH1A1MAPK1
SCHEMBL729045 0.77 LMNA (0.43) HPGDMAPTALDH1A1MAPK1LMNA
SCHEMBL731078 0.76 KHK (0.44) GABRA1GABRA2
Hydrochloric Acid SCHEMBL729354 0.75 KHK (0.43) GABRA1GABRA2MAOB
SCHEMBL730935 0.75 KDM4E (0.37) L3MBTL1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL13080474 0.75 MPO (0.56) HPGDL3MBTL1MAPTALDH1A1MAPK1
SCHEMBL728568 0.71 ADORA3 (0.47) HPGDALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL730647 0.70 MAPT (0.42) HPGDL3MBTL1MAPTALDH1A1MAPK1

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 6 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
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 HPGD 64/4885L3MBTL1 4598/4885MAPT 4124/4885

“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.