SCHEMBL1720001

SCHEMBL1720001

CN1CCC(c2nn(C)c3[nH]c(=O)c4ccccc4c23)CC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.79
HTR2A P28223 1/20 0.42
HTR3A P46098 1/20 0.40
PARP14 Q460N5 1/20 0.37
CYP3A4 P08684 1/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
MAPT P10636 1/20 0.37
KAT2B Q92831 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 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
SCHEMBL1720241 0.93 PARP1 (0.72) PARP1HTR2AHTR3APARP14DDB1
SCHEMBL1720027 0.88 PARP1 (0.72) PARP1DDB1CRBNMAPT
SCHEMBL1719594 0.88 PARP1 (1.00) PARP1HTR2APARP14
SCHEMBL1719884 0.88 PARP1 (0.71) PARP1HTR2ADDB1CRBN
SCHEMBL1719914 0.87 PARP1 (0.85) PARP1HTR2A
Hydrochloric Acid SCHEMBL1719792 0.86 PARP1 (0.70) PARP1HTR2ADDB1CRBN
SCHEMBL1719886 0.85 PARP1 (0.59) PARP1TNKSTNKS2
SCHEMBL14836911 0.84 PARP1 (0.80) PARP1HTR2A
SCHEMBL1720065 0.83 PARP1 (0.71) PARP1MAPT
SCHEMBL1720278 0.77 PARP1 (0.49) PARP1HTR2AHTR3A

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 1/4885HTR2A 2360/4885HTR3A 2349/4885

“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.