SCHEMBL1719946

SCHEMBL1719946

CN(C)Cc1nsc2[nH]c(=O)c3cc(F)ccc3c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.41
PIM1 P11309 5/20 0.39
PIM2 Q9P1W9 5/20 0.39
POLB P06746 1/20 0.35
TYMS P04818 1/20 0.34
MPO P05164 2/20 0.34
PARP3 Q9Y6F1 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
TNKS O95271 1/20 0.33

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
SCHEMBL1721012 0.85 PIM1 (0.46) PARP1PIM1PIM2POLBTYMS
SCHEMBL1719666 0.83 PARP1 (0.54) PARP1PIM1PIM2POLBTNKS
SCHEMBL1719830 0.79 PARP1 (0.42) PARP1POLBTYMSPGRAR
SCHEMBL1720922 0.78 PARP1 (0.40) PARP1PIM1PIM2MPOPARP3
SCHEMBL1549402 0.76 PARP1 (0.70) PARP1PIM1PIM2POLBMPO
SCHEMBL1720135 0.76 KDM4A (0.35) PARP1PIM1PIM2POLBTYMS
Hydrochloric Acid SCHEMBL1549814 0.75 PARP1 (0.72) PARP1PIM1PIM2POLBMPO
SCHEMBL1720066 0.75 PARP1 (0.39) PARP1POLBTYMSMPOPARP3
SCHEMBL1719760 0.71 CYP3A4 (0.44) PARP1TYMSMPOPARP3PGR
SCHEMBL1720050 0.68 PARP1 (0.38) PARP1MPOPARP3PGRAR

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 1/4885PIM1 2824/4885PIM2 2907/4885

“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.