SCHEMBL1719807

SCHEMBL1719807

CN(C)Cc1cn(C)c(=O)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.59
BRD9 Q9H8M2 3/20 0.59
BRD7 Q9NPI1 3/20 0.59
BRD2 P25440 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.47
HTR6 P50406 2/20 0.46
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL13979671 0.82 BRD4 (0.56) BRD4BRD9BRD7L3MBTL1
SCHEMBL9919108 0.81 BRD9 (0.48) BRD4BRD9BRD7BRD2
SCHEMBL2611508 0.80 BRD4 (0.59) BRD4BRD9BRD7L3MBTL1
SCHEMBL10261961 0.79 GPR84 (0.67) HTR6HTR2AHTR2CHTR2B
SCHEMBL9922247 0.77 BRD4 (0.46) BRD4BRD9BRD7BRD2HTR2A
SCHEMBL19869887 0.76 BRD4 (0.64) BRD4BRD9BRD7BRD2
SCHEMBL14518831 0.76 BRD4 (0.50) BRD4BRD9BRD7L3MBTL1
Iodomethane SCHEMBL4607667 0.76 GPR84 (0.62) HTR6HTR2AHTR2CHTR2B
SCHEMBL19869876 0.75 BRD4 (1.00) BRD4BRD9BRD7BRD2
SCHEMBL26142005 0.75 BRD4 (0.55) BRD4BRD9BRD7BRD2

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 BRD4 549/4885BRD9 2267/4885BRD7 1044/4885

“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.