SCHEMBL1719944

SCHEMBL1719944

CN(C)Cc1noc2[nH]c(=O)c3cc(Cl)ccc3c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.41
PIM2 Q9P1W9 3/20 0.41
PARP1 P09874 2/20 0.40
MAT2A P31153 3/20 0.38
PDE10A Q9Y233 1/20 0.37
TYMS P04818 3/20 0.37
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
TNKS O95271 1/20 0.33
MAP2 P11137 1/20 0.33
CHEK1 O14757 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
SCHEMBL1720135 0.85 KDM4A (0.35) PIM1PIM2PARP1TYMSKDM4A
SCHEMBL1719888 0.83 POLB (0.51) PIM1PIM2PARP1KDM4AKDM4B
SCHEMBL4075097 0.79 PARP1 (0.46) PIM1PIM2PARP1TYMSGAA
SCHEMBL1721121 0.78 KMT2A (0.43) PIM1PIM2PARP1KDM5BGAA
SCHEMBL1721012 0.76 PIM1 (0.46) PIM1PIM2PARP1MAT2APDE10A
SCHEMBL1720071 0.75 PIM1 (0.40) PIM1PIM2PARP1MAT2APDE10A
SCHEMBL1721110 0.71 ADRA2A (0.50) PIM1PIM2PARP1MAT2APDE10A
SCHEMBL1720082 0.68 PDE10A (0.46) PIM1PIM2PARP1MAT2APDE10A
SCHEMBL1549708 0.66 PARP1 (0.70) PIM1PIM2PARP1MAT2APDE10A
Hydrochloric Acid SCHEMBL1549716 0.65 PARP1 (0.72) PIM1PIM2PARP1MAT2APDE10A

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 PIM1 2824/4885PIM2 2907/4885PARP1 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.