SCHEMBL1719667

SCHEMBL1719667

Cc1[nH]c(=O)c2cc(F)ccc2c1CN1CCCC1CO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
CFB P00751 1/20 0.45
SPHK1 Q9NYA1 7/20 0.42
SPHK2 Q9NRA0 6/20 0.42
CDC7 O00311 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
ROCK1 Q13464 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
PNP P00491 2/20 0.38
DDR1 Q08345 1/20 0.38
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1720897 1.00 PARP1 (0.47) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1719665 1.00 PARP1 (0.47) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1720556 0.88 PARP1 (0.43) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1720740 0.88 PARP1 (0.43) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1720739 0.88 PARP1 (0.43) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1720866 0.87 PARP1 (0.47) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1720613 0.87 PARP1 (0.47) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1720611 0.87 PARP1 (0.47) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1720531 0.85 PARP1 (0.56) PARP1CFBSPHK1SPHK2CDC7
SCHEMBL1720534 0.85 PARP1 (0.56) PARP1CFBSPHK1SPHK2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US claimed
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-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 1/4885CFB 3353/4885SPHK1 1422/4885

“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.