SCHEMBL4077282

SCHEMBL4077282

Cc1[nH]c(=O)c2ccccc2c1C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
HTR2A P28223 2/20 0.44
KCNH2 Q12809 2/20 0.44
PARP1 P09874 1/20 0.40
PARP14 Q460N5 1/20 0.39
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL4077380 0.92 HTR2C (0.51) HTR2CHTR2AKCNH2PARP1TLR9
SCHEMBL4069147 0.82 HTR3A (0.43) HTR2AKCNH2PARP1
SCHEMBL4068442 0.82 KCNH2 (0.46) HTR2CHTR2AKCNH2PARP1
SCHEMBL29462 0.82 HTR2A (0.59) HTR2CHTR2AKCNH2
SCHEMBL4069841 0.78 HTR2C (0.42) HTR2CHTR2AKCNH2PARP1TLR9
SCHEMBL4069626 0.78 HTR2A (0.56) HTR2CHTR2AKCNH2PARP1PARP14
SCHEMBL4078132 0.76 PARP1 (0.44) HTR2CHTR2AKCNH2PARP1TLR9
SCHEMBL4078326 0.76 PARP1 (0.48) HTR2CHTR2AKCNH2PARP1TLR9
SCHEMBL8316644 0.75 HTR2C (0.69) HTR2CHTR2AKCNH2TLR9TLR8
SCHEMBL4075900 0.74 HTR2A (0.49) HTR2CHTR2AKCNH2PARP1PARP14

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 6 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
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 HTR2C 2811/4885HTR2A 2360/4885KCNH2 2879/4885

“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.