SCHEMBL1719968

SCHEMBL1719968

Cc1nn(CCO)c2[nH]c(=O)c3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1719782 0.86 PARP1 (0.42) PARP1HPGDCYP1A2CYP2C9MAPK1
SCHEMBL1720617 0.82 PARP1 (0.47) PARP1HPGDMEN1KMT2AKDM4E
SCHEMBL1720726 0.81 PARP1 (0.46) PARP1MAPK1MEN1KMT2AKDM4E
SCHEMBL1720801 0.80 ALDH1A1 (0.47) PARP1MAPK1MEN1KMT2AKDM4E
SCHEMBL1719969 0.80 PARP1 (0.53) PARP1HPGDCYP1A2CYP2C9MAPK1
SCHEMBL11286643 0.73 HPGD (0.72) PARP1HPGDMAPK1MEN1KMT2A
SCHEMBL20195799 0.68 GLS (0.70) HPGDMAPK8MEN1KMT2AKDM4E
SCHEMBL13901616 0.68 HPGD (0.52) PARP1HPGDMAPK1MEN1KMT2A
SCHEMBL11278033 0.68 PARP1 (0.56) PARP1HPGDCYP1A2CYP2C9KDM4E
Hydrochloric Acid SCHEMBL1719788 0.67 HPGD (0.51) PARP1HPGDMAPK1MEN1KMT2A

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 6 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-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 1/4885HPGD 36/4885CYP1A2 1405/4885

“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.