SCHEMBL1720109

SCHEMBL1720109

Cc1[nH]c(=O)c2cc(Cl)ccc2c1CN1CC[C@H](O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.52
PIM1 P11309 6/20 0.52
PIM2 Q9P1W9 5/20 0.52
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DDR1 Q08345 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
PIM3 Q86V86 2/20 0.39
CYP1A2 P05177 1/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
PDE5A O76074 1/20 0.38
PDE11A Q9HCR9 1/20 0.38

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
SCHEMBL1719552 1.00 CDC7 (0.52) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1719551 1.00 CDC7 (0.52) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1720263 0.93 ALDH1A1 (0.52) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1719785 0.87 CDC7 (0.51) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1719784 0.87 CDC7 (0.51) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1719992 0.87 CDC7 (0.51) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1720908 0.87 CYP19A1 (0.44) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1719904 0.87 CYP19A1 (0.44) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1719906 0.87 CYP19A1 (0.44) CDC7PIM1PIM2ALDH1A1POLB
SCHEMBL1719913 0.85 ALDH1A1 (0.47) CDC7PIM1PIM2ALDH1A1POLB

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 10 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
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 CDC7 3213/4885PIM1 2824/4885PIM2 2907/4885

“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.