SCHEMBL1719923

SCHEMBL1719923

Cn1nc(CN2CCCC2)c2c3ccc(F)cc3c(=O)[nH]c21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
TNKS O95271 3/20 0.41
PARP2 Q9UGN5 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MPO P05164 3/20 0.36
HRH3 Q9Y5N1 3/20 0.35
KCNH2 Q12809 2/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PLK1 P53350 1/20 0.35
KDM5B Q9UGL1 1/20 0.34

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
Hydrochloric Acid SCHEMBL4069890 0.99 PARP1 (0.41) PARP1TNKSPARP2KDM4ESMN1; SMN2
SCHEMBL1720126 0.87 KMT2A (0.45) PARP1KDM4ESMN1; SMN2CDK4CCND1
SCHEMBL1719750 0.85 PARP1 (0.56) PARP1KDM4EHRH3CDK4CCND1
SCHEMBL1719898 0.85 KDM4E (0.46) PARP1KDM4EHRH3KCNH2CDK4
SCHEMBL1720207 0.85 PARP1 (0.43) PARP1TNKS
SCHEMBL1719790 0.85 PARP1 (0.43) PARP1TNKS
SCHEMBL1720211 0.85 PARP1 (0.43) PARP1TNKS
SCHEMBL4068289 0.84 PARP1 (0.55) PARP1KDM4EHRH3CDK4CCND1
Hydrochloric Acid SCHEMBL1719747 0.83 PARP1 (0.54) PARP1KDM4EHRH3CDK4CCND1
SCHEMBL1720066 0.81 PARP1 (0.39) PARP1TNKSPARP2MPOTNKS2

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 PARP1 1/4885TNKS 127/4885PARP2 12/4885

“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.