SCHEMBL1720009

SCHEMBL1720009

COc1ccc2c(c1)c(=O)[nH]c1c2c(C)nn1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DYRK1A Q13627 1/20 0.44
PARP1 P09874 3/20 0.44
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MMP13 P45452 1/20 0.40
TYMS P04818 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL20139079 0.82 KDM4E (0.51) KDM4EHSD17B10DYRK1AALDH1A1HPGD
SCHEMBL1719755 0.81 MAPK8 (0.48) PARP1TYMS
SCHEMBL1720314 0.81 PARP1 (0.46) KDM4EPARP1TNKS2TYMS
SCHEMBL1719943 0.81 KAT2B (0.43) KDM4ELMNAHSD17B10DYRK1APARP1
SCHEMBL1719969 0.79 PARP1 (0.53) KDM4EHSD17B10PARP1HPGD
SCHEMBL1719898 0.78 KDM4E (0.46) KDM4ELMNAHSD17B10PARP1ALDH1A1
SCHEMBL26785799 0.73 PARP15 (0.58) KDM4ELMNAHSD17B10PARP15PARP14
SCHEMBL29853659 0.73 PARP15 (0.58) KDM4ELMNAHSD17B10PARP15PARP14
SCHEMBL11647774 0.73 KDM4E (0.54) KDM4EHSD17B10PARP1ALDH1A1HPGD
SCHEMBL20550815 0.69 CRHR1 (0.39) PARP1MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 KDM4E 3585/4885LMNA 719/4885HSD17B10 1409/4885

“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.