SCHEMBL729045

SCHEMBL729045

Clc1nc2ccccc2c2c(CCN3CCN(Cc4ccccc4)CC3)n(-c3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KDM1A O60341 1/20 0.43
ACHE P22303 2/20 0.40
NCF1 P14598 1/20 0.40
CCR3 P51677 1/20 0.40
DRD4 P21917 1/20 0.39
HTR1A P08908 3/20 0.39
HTR7 P34969 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
DRD2 P14416 1/20 0.38
MAPK1 P28482 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
SCHEMBL731110 0.83 MEN1 (0.47) LMNAKDM4EALDH1A1HPGDHTR1A
SCHEMBL728693 0.78 ADORA3 (0.46) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL728644 0.78 TLR7 (0.41) LMNAMAPTHPGDMAPK1
SCHEMBL728873 0.77 HPGD (0.44) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL731078 0.74 KHK (0.44) ACHE
Hydrochloric Acid SCHEMBL729354 0.73 KHK (0.43) ACHE
SCHEMBL728896 0.73 HPGD (0.38) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL729372 0.70 HPGD (0.61) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL4632313 0.66 ALDH1A1 (0.57) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL29977341 0.65 MC4R (0.47) LMNAKDM4EMAPTALDH1A1HPGD

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 LMNA 2914/4885KDM4E 3301/4885MAPT 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.