SCHEMBL1720683

SCHEMBL1720683

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
TYMS P04818 2/20 0.42
AR P10275 2/20 0.40
PGR P06401 2/20 0.40
CSF1R P07333 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CASP3 P42574 1/20 0.37
CDC25A P30304 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
SCHEMBL4075097 0.83 PARP1 (0.46) PARP1TYMSCSF1RHTR2AHTR2C
SCHEMBL1720694 0.80 PARP1 (0.41) PARP1TYMSSHMT2
SCHEMBL1720135 0.79 KDM4A (0.35) PARP1TYMSARPGRCSF1R
SCHEMBL1720724 0.74 PARP1 (0.40) PARP1PARP3
SCHEMBL30577465 0.73 CSF1R (0.48) PARP1TYMSARPGRCSF1R
SCHEMBL1719830 0.71 PARP1 (0.42) PARP1TYMSARPGRKEAP1
SCHEMBL1720314 0.70 PARP1 (0.46) PARP1TYMSARPGRKEAP1
SCHEMBL30720811 0.68 PGR (0.47) PARP1TYMSARPGRKEAP1
SCHEMBL13463017 0.66 PGR (0.48) PARP1TYMSARPGRKEAP1
SCHEMBL12209283 0.64 GRM4 (0.49)

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 PARP1 1/4885TYMS 1123/4885AR 3323/4885

“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.