SCHEMBL1720604

SCHEMBL1720604

Cc1[nH]c(=O)c2ccccc2c1CN(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
CYP3A4 P08684 1/20 0.64
PARP1 P09874 5/20 0.50
POLB P06746 1/20 0.50
TNKS O95271 6/20 0.47
HTR6 P50406 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PARP15 Q460N3 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42

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
SCHEMBL1719757 0.85 TSHR (0.52) MAPTCYP3A4PARP1TNKSCYP1A2
SCHEMBL1719950 0.83 MAPT (0.45) MAPTCYP3A4PARP1POLBTNKS
SCHEMBL1719746 0.81 PARP1 (0.47) MAPTCYP3A4PARP1POLBTNKS
SCHEMBL1721032 0.80 PARP1 (0.46) MAPTCYP3A4PARP1POLBTNKS
SCHEMBL1721110 0.79 ADRA2A (0.50) MAPTCYP3A4PARP1POLBTNKS
SCHEMBL1719760 0.79 CYP3A4 (0.44) MAPTCYP3A4PARP1TNKSHPGD
2-Methyl Gramine SCHEMBL2519973 0.78 MAPT (1.00) MAPTCYP3A4POLBHTR6CYP1A2
SCHEMBL13901581 0.77 HTT (0.42) MAPTCYP3A4PARP1TNKSCYP1A2
Iodide SCHEMBL1720530 0.76 HTT (0.41) MAPTCYP3A4PARP1TNKSCYP1A2
SCHEMBL11150472 0.76 GAA (0.69) MAPTCYP3A4PARP1POLBCYP1A2

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
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US 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 MAPT 815/4885CYP3A4 2034/4885PARP1 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.