SCHEMBL2867564

SCHEMBL2867564

Nc1c2c(=O)[nH]c3ccc(OCCCN4CCN(c5cccc(Cl)c5)CC4)cc3c2nn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.53
DRD3 P35462 4/20 0.51
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
HTR7 P34969 5/20 0.48
HTR1A P08908 4/20 0.48
HTR2A P28223 3/20 0.48
ADRA1A P35348 3/20 0.48
MEN1 O00255 2/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
HTR2C P28335 2/20 0.48
HRH1 P35367 2/20 0.48
HTR6 P50406 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KMT2A Q03164 2/20 0.48
ABCC4 O15439 1/20 0.48

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
SCHEMBL2857668 0.89 HRH4 (0.45) DRD2DRD3HTR1ASIGMAR1
SCHEMBL2861080 0.82 FGFR1 (0.55) DRD2ADORA3PARP1
SCHEMBL2864303 0.82 FGFR1 (0.48) HRH1HRH2PARP1SIGMAR1
SCHEMBL2857971 0.76 FGFR1 (0.48) HRH1HRH2SIGMAR1
SCHEMBL2868547 0.76 XDH (0.46) DRD2DRD3HTR1ASIGMAR1
SCHEMBL2864315 0.74 ADORA3 (0.50) ADORA3
SCHEMBL2866809 0.74 MCHR1 (0.51) KMT2AKCNH2
SCHEMBL23097779 0.72 DRD2 (0.66) DRD2DRD3SLC6A2SLC6A4HTR7
SCHEMBL10428538 0.72 DRD2 (0.68) DRD2DRD3SLC6A2SLC6A4HTR7
SCHEMBL2865177 0.72 FGFR1 (0.45) PARP1SIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 DRD2 1957/4885DRD3 1561/4885SLC6A2 3465/4885

“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.