SCHEMBL1720135

SCHEMBL1720135

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 10/20 0.34
TYMS P04818 1/20 0.34
TNKS O95271 2/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP3 Q9Y6F1 3/20 0.33
AR P10275 2/20 0.33
PGR P06401 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CSF1R P07333 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL1719944 0.85 PIM1 (0.41) KDM4AKDM4BKDM5CKDM5BPOLB
SCHEMBL1719888 0.83 POLB (0.51) KDM4AKDM4BKDM5CKDM5BPOLB
SCHEMBL1720683 0.79 PARP1 (0.42) PARP1TYMSPARP3ARPGR
SCHEMBL1720724 0.78 PARP1 (0.40) KDM5BPARP1TNKSPARP3PARP2
SCHEMBL1719946 0.76 PARP1 (0.41) POLBPARP1TYMSTNKSPARP3
SCHEMBL1720066 0.75 PARP1 (0.39) POLBPARP1TYMSTNKSTNKS2
SCHEMBL1719760 0.71 CYP3A4 (0.44) PARP1TYMSTNKSPARP3AR
SCHEMBL1549402 0.68 PARP1 (0.70) POLBPARP1TNKSPARP3AR
SCHEMBL1720050 0.68 PARP1 (0.38) PARP1TNKSPARP3ARPGR
Hydrochloric Acid SCHEMBL1549814 0.68 PARP1 (0.72) POLBPARP1TNKSPARP3AR

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 KDM4A 3372/4885KDM4B 3077/4885KDM5C 2968/4885

“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.