SCHEMBL1719969

SCHEMBL1719969

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.53
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1719755 0.81 MAPK8 (0.48) PARP1
SCHEMBL1720314 0.81 PARP1 (0.46) PARP1KDM4E
SCHEMBL11278033 0.80 PARP1 (0.56) PARP1HPGDCYP1A2CYP2C9KDM4E
SCHEMBL11286643 0.80 HPGD (0.72) PARP1HPGDMAPK1KDM4EHSD17B10
SCHEMBL1719968 0.80 PARP1 (0.42) PARP1HPGDCYP1A2CYP2C9MAPK1
SCHEMBL1719782 0.80 PARP1 (0.42) PARP1HPGDCYP1A2CYP2C9MAPK1
SCHEMBL1720009 0.79 KDM4E (0.47) PARP1HPGDKDM4EHSD17B10
SCHEMBL1720121 0.77 PARP1 (0.53) PARP1CYP1A2KDM4E
SCHEMBL1720598 0.76 PARP1 (0.49) PARP1KDM4E
SCHEMBL1720617 0.76 PARP1 (0.47) PARP1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US 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-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
EP-0005745-B1 PYRAZOLO (3,4-C) AND THIAZOLO (5,4-C) ISOQUINOLINES, METHODS FOR PREPARING THEM, THESE COMPOUNDS FOR USE AS ANTIINFLAMMATORY, CNS-DEPRESSANT AND ANTI-ANXIETY AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF GRUPPO LEPETIT S.P.A. (IT) 1982-07-14 EP disclosed
US-4232017-A CNS DEPRESSANTS; TRANQUILIZERS GRUPPO LEPETIT S.P.A. (IT) 1980-11-04 US disclosed
EP-0005745-A1 Pyrazolo (3,4-c) and thiazolo (5,4-c) isoquinolines, methods for preparing them, these compounds for use as antiinflammatory, CNS-depressant and anti-anxiety agents and pharmaceutical compositions thereof GRUPPO LEPETIT S.P.A. (IT) 1979-12-12 EP disclosed
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US 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.