SCHEMBL1720082

SCHEMBL1720082

CCc1[nH]c(=O)c2cc(Cl)ccc2c1CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
PARP1 P09874 1/20 0.45
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
SIRT1 Q96EB6 1/20 0.39
MAT2A P31153 4/20 0.39
CNR1 P21554 1/20 0.37
TNKS O95271 1/20 0.36
MAP2 P11137 1/20 0.36
GAA P10253 1/20 0.35
MPO P05164 2/20 0.35

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
SCHEMBL10227714 0.88 PARP1 (0.53) PARP1CYP1A2HTR6SIRT1MAT2A
SCHEMBL1721110 0.84 ADRA2A (0.50) PDE10APARP1PIM1PIM2CYP1A2
SCHEMBL1720050 0.83 PARP1 (0.38) PARP1CNR1TNKSMPO
SCHEMBL1719746 0.81 PARP1 (0.47) PDE10APARP1PIM1PIM2CYP1A2
SCHEMBL13901576 0.81 PARP1 (0.45) PARP1CYP1A2HTR6SIRT1MAT2A
Iodide SCHEMBL1720204 0.80 PARP1 (0.44) PARP1CYP1A2HTR6SIRT1MAT2A
SCHEMBL1720072 0.76 ALDH1A1 (0.55) PARP1PIM1PIM2L3MBTL1HTR6
SCHEMBL1720536 0.75 PARP1 (0.45) PDE10APARP1CYP1A2CYP2D6L3MBTL1
SCHEMBL1720661 0.72 PIM1 (0.48) PARP1PIM1PIM2ADRA2ACNR1
SCHEMBL1720079 0.71 PARP1 (0.44) PDE10APARP1CYP1A2CYP2D6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US claimed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US claimed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP claimed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 PDE10A 1338/4885PARP1 1/4885PIM1 2824/4885

“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.