SCHEMBL1720071

SCHEMBL1720071

CN(C)Cc1nn(C)c2[nH]c(=O)c3cc(Cl)ccc3c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PARP1 P09874 2/20 0.40
MAPK8 P45983 6/20 0.38
MAPK9 P45984 3/20 0.38
MAPK10 P53779 3/20 0.38
MAT2A P31153 3/20 0.37
PDE10A Q9Y233 1/20 0.37
TYMS P04818 1/20 0.36
MPO P05164 3/20 0.36
XDH P47989 3/20 0.36
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL1720066 0.86 PARP1 (0.39) PARP1TYMSMPOXDH
SCHEMBL1720121 0.84 PARP1 (0.53) PIM1PIM2PARP1
SCHEMBL1720126 0.81 KMT2A (0.45) PIM1PIM2PARP1MAPK8MAPK9
SCHEMBL1719755 0.80 MAPK8 (0.48) PIM1PARP1MAPK8MAPK9MAPK10
SCHEMBL1721012 0.75 PIM1 (0.46) PIM1PIM2PARP1MAT2APDE10A
SCHEMBL1719944 0.75 PIM1 (0.41) PIM1PIM2PARP1MAT2APDE10A
SCHEMBL1721110 0.70 ADRA2A (0.50) PIM1PIM2PARP1MAT2APDE10A
SCHEMBL11278033 0.69 PARP1 (0.56) PARP1
SCHEMBL5522637 0.69 PARP1 (0.62) PARP1
SCHEMBL1720082 0.67 PDE10A (0.46) PIM1PIM2PARP1MAT2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIM1 2824/4885PIM2 2907/4885PARP1 1/4885

“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.