SCHEMBL4071646

SCHEMBL4071646

Cn1nc(CN2CC=C(c3ccccc3)CC2)c2c3ccccc3c(=O)[nH]c21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.54
CASP1 P29466 1/20 0.49
HBB P68871 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46

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 SCHEMBL1720549 0.99 PARP1 (0.53) PARP1CASP1HBBKDM4EMEN1
SCHEMBL1719750 0.81 PARP1 (0.56) PARP1KDM4EMEN1MAPTKMT2A
SCHEMBL4068289 0.80 PARP1 (0.55) PARP1KDM4EMEN1MAPTKMT2A
SCHEMBL1720862 0.80 PARP1 (0.55) PARP1MAPTGAA
Hydrochloric Acid SCHEMBL1719747 0.79 PARP1 (0.54) PARP1KDM4EMEN1MAPTKMT2A
SCHEMBL1720808 0.79 PARP1 (0.51) PARP1KDM4EMAPTGAA
SCHEMBL1720304 0.78 PARP1 (0.53) PARP1KDM4EMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL4071850 0.78 PARP1 (0.50) PARP1KDM4EMAPTGAA
SCHEMBL1720648 0.77 PARP1 (0.62) PARP1KDM4EMEN1KMT2A
SCHEMBL1720185 0.75 PARP1 (0.57) PARP1KDM4EMEN1KMT2A

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 1/4885CASP1 443/4885HBB 4408/4885

“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.