SCHEMBL1721026

SCHEMBL1721026

[C]1NC(C2NCc3ccccc32)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.35
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
PRCP P42785 2/20 0.34
PNMT P11086 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL6141217 0.80 PNMT (0.35) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL27360801 0.71 PRCP (0.56) DRD1DRD2DRD4PRCPPNMT
SCHEMBL24017135 0.71 HTR2A (0.43) PRCPPNMT
SCHEMBL24017113 0.71 HTR2A (0.43) PRCPPNMT
SCHEMBL26192104 0.66 PRCP (0.46) DRD1DRD2DRD4PRCPCYP2D6
SCHEMBL30121271 0.66 PRCP (0.54) PRCPCYP2D6CYP3A4MEN1KMT2A
SCHEMBL27511241 0.62 PRCP (0.33) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL7257552 0.62 CYP2D6 (0.41) DRD1DRD2DRD4PRCPPNMT
SCHEMBL16799768 0.62 PRCP (0.70) PRCPGAAMAPTTSHR
SCHEMBL24017043 0.62 PRCP (0.70) PRCPGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
EP-2615089-A1 PYRAZOLOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A DRD1 3389/4885DRD2 3647/4885DRD4 3831/4885

“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.