SCHEMBL1720074

SCHEMBL1720074

CCN1CCC(c2nn(C)c3[nH]c(=O)c4cc(F)ccc4c23)CC1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.76
DRD2 P14416 10/20 0.43
SLC6A4 P31645 4/20 0.43
ACHE P22303 2/20 0.39
HTR2A P28223 5/20 0.38
HTR7 P34969 4/20 0.38
KCNH2 Q12809 4/20 0.38
PARP2 Q9UGN5 1/20 0.38
HTR2C P28335 2/20 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
SCHEMBL1720505 0.93 PARP1 (0.65) PARP1DRD2SLC6A4ACHEHTR2A
SCHEMBL1719886 0.89 PARP1 (0.59) PARP1DRD2SLC6A4
SCHEMBL1719594 0.86 PARP1 (1.00) PARP1DRD2SLC6A4HTR2APARP2
SCHEMBL1720626 0.86 PARP1 (0.55) PARP1DRD2SLC6A4HTR2AHTR7
SCHEMBL1720253 0.85 PARP1 (0.53) PARP1KCNH2
Hydrochloric Acid SCHEMBL1720668 0.84 PARP1 (0.53) PARP1KCNH2
SCHEMBL1719914 0.79 PARP1 (0.85) PARP1DRD2SLC6A4HTR2APARP2
SCHEMBL14836911 0.76 PARP1 (0.80) PARP1DRD2SLC6A4HTR2APARP2
SCHEMBL1720211 0.75 PARP1 (0.43) PARP1HTR2C
SCHEMBL1719790 0.75 PARP1 (0.43) PARP1HTR2C

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
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP 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 PARP1 1/4885DRD2 3406/4885SLC6A4 1822/4885

“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.