SCHEMBL1719904

SCHEMBL1719904

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
CDC7 O00311 4/20 0.39
PIM1 P11309 7/20 0.39
PIM2 Q9P1W9 7/20 0.39
PIM3 Q86V86 4/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CYP1A2 P05177 1/20 0.39
NEK1 Q96PY6 1/20 0.38
PDE5A O76074 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.38
MAPK8 P45983 2/20 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
SCHEMBL1719906 1.00 CYP19A1 (0.44) CYP19A1CDC7PIM1PIM2PIM3
SCHEMBL1720908 1.00 CYP19A1 (0.44) CYP19A1CDC7PIM1PIM2PIM3
SCHEMBL1719789 0.93 MCL1 (0.42) CYP19A1KDM4EALDH1A1HPGDPARP1
SCHEMBL1720570 0.87 CYP19A1 (0.42) CYP19A1CDC7PIM1PIM2PIM3
SCHEMBL1720056 0.87 CYP19A1 (0.42) CYP19A1CDC7PIM1PIM2PIM3
SCHEMBL1720059 0.87 CYP19A1 (0.42) CYP19A1CDC7PIM1PIM2PIM3
SCHEMBL1719552 0.87 CDC7 (0.52) CDC7PIM1PIM2PIM3CSNK2A2
SCHEMBL1720109 0.87 CDC7 (0.52) CDC7PIM1PIM2PIM3CSNK2A2
SCHEMBL1719551 0.87 CDC7 (0.52) CDC7PIM1PIM2PIM3CSNK2A2
SCHEMBL1719911 0.85 ALDH1A1 (0.47) CDC7PIM1PIM2PIM3CSNK2A2

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-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-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 CYP19A1 2053/4885CDC7 3213/4885PIM1 2824/4885

“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.