SCHEMBL1720184

SCHEMBL1720184

O=c1[nH]c2snc(CN3CCCC3)c2c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.47
PIM2 Q9P1W9 4/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PARP1 P09874 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
ATM Q13315 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
MAT2A P31153 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
SCHEMBL1720922 0.86 PARP1 (0.40) PIM1PIM2ALDH1A1CDK4CCND1
SCHEMBL1719983 0.84 PARP1 (0.39) KMT2AALDH1A1CDK4CCND1PARP1
SCHEMBL1721012 0.78 PIM1 (0.46) PIM1PIM2POLBPARP1GAA
SCHEMBL1721121 0.77 KMT2A (0.43) PIM1PIM2KMT2AMEN1ALDH1A1
SCHEMBL1720126 0.76 KMT2A (0.45) PIM1PIM2KMT2AMEN1ALDH1A1
SCHEMBL1720714 0.74 PARP1 (0.46) PIM1PIM2LMNASMN1; SMN2PARP1
SCHEMBL1720551 0.71 KMT2A (0.67) PIM1PIM2KMT2AMEN1ALDH1A1
SCHEMBL1720072 0.69 ALDH1A1 (0.55) PIM1PIM2KMT2AMEN1ALDH1A1
SCHEMBL4210297 0.65 PIM1 (1.00) PIM1PIM2
SCHEMBL4208192 0.65 PIM1 (1.00) PIM1PIM2

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-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 PIM1 2824/4885PIM2 2907/4885KMT2A 1063/4885

“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.