SCHEMBL824686

SCHEMBL824686

NCCNc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
TNKS O95271 4/20 0.41
HTR6 P50406 3/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39

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
Trifluoroacetic Acid SCHEMBL828226 0.92 PARP1 (0.38) PARP1TNKSHTR6PRKD3PRKCG
SCHEMBL824925 0.87 TNKS (0.41) PARP1TNKSTNKS2ADORA2AADORA1
SCHEMBL828302 0.86 BRD4 (0.51) PARP1TNKSADORA2AADORA1PIK3CD
SCHEMBL10226389 0.86 TNKS (0.43) PARP1TNKSTNKS2ADORA2AADORA1
SCHEMBL828455 0.85 PIK3CD (0.42) PARP1TNKSPRKCATNKS2ADORA2A
SCHEMBL824935 0.84 ITK (0.49) PARP1TNKSADORA2AADORA1PDE10A
SCHEMBL828033 0.82 TNKS (0.49) TNKSPIK3CD
SCHEMBL9083266 0.82 TNKS (0.41) PARP1TNKSTNKS2ADORA2AADORA1
SCHEMBL828198 0.81 TNKS (0.37) PARP1TNKSTNKS2ADORA2AADORA1
SCHEMBL824677 0.80 PDE10A (0.52) PARP1TNKSTNKS2PDE10A

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
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 PARP1 4305/4885TNKS 4871/4885HTR6 836/4885

“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.