SCHEMBL728896

SCHEMBL728896

O=C(Cl)Cc1c2c(nn1-c1ccccc1)c(Cl)nc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA3 P0DMS8 7/20 0.35
ESR2 Q92731 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
GLA P06280 1/20 0.33
ADORA2A P29274 1/20 0.33
NR4A3 Q92570 1/20 0.33
RIPK1 Q13546 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B10 O60218 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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 0.82 HPGD (0.44) HPGDMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL728644 0.78 TLR7 (0.41) HPGDMAPTL3MBTL1ADORA3LMNA
SCHEMBL729372 0.75 HPGD (0.61) HPGDMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL729045 0.73 LMNA (0.43) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL731078 0.72 KHK (0.44)
Hydrochloric Acid SCHEMBL729354 0.71 KHK (0.43)
SCHEMBL730935 0.68 KDM4E (0.37) MAPTL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1921361 0.67 MPO (0.47) MAPTPOLBKDM4EALDH1A1ADORA3
SCHEMBL728854 0.66 ADORA3 (0.45) MAPTKDM4EALDH1A1ADORA3
SCHEMBL28748655 0.65 ESR2 (0.48) L3MBTL1KDM4EESR2SMN1; SMN2LMNA

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-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 64/4885MAPT 4124/4885L3MBTL1 4598/4885

“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.