SCHEMBL15577658

SCHEMBL15577658

Brc1ccc2c(cnc3[nH]ncc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.53
METAP2 P50579 2/20 0.53
CSNK2A1 P68400 1/20 0.53
DYRK1A Q13627 1/20 0.49
MKNK1 Q9BUB5 3/20 0.45
MAPK1 P28482 1/20 0.45
EGFR P00533 2/20 0.39
FLT3 P36888 3/20 0.38
XDH P47989 2/20 0.38
RET P07949 1/20 0.38
PI4KA P42356 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
PDPK1 O15530 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ADORA2A P29274 1/20 0.36
SLC6A4 P31645 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
SCHEMBL15577790 0.76 PRKCI (0.44) NOS1METAP2CSNK2A1DYRK1AMAPK1
SCHEMBL29735151 0.75 METAP2 (0.56) NOS1METAP2CSNK2A1DYRK1AFLT3
SCHEMBL396016 0.75 METAP2 (0.56) NOS1METAP2CSNK2A1DYRK1AFLT3
SCHEMBL5569363 0.74 MAPK1 (0.55) MKNK1MAPK1XDHRETPI4KA
SCHEMBL28778104 0.72 PTGES (0.45)
SCHEMBL10329 0.71 DYRK1A (0.50) NOS1METAP2CSNK2A1DYRK1AMKNK1
SCHEMBL15577539 0.71 CSNK2A1 (0.39) NOS1METAP2CSNK2A1DYRK1AMAPK1
SCHEMBL2486697 0.71 CHEK2 (0.44) NOS1METAP2CSNK2A1DYRK1AMKNK1
SCHEMBL28048087 0.71 CHEK1 (0.44) FLT3LMNATSHRSMN1; SMN2
SCHEMBL30907233 0.70 XDH (0.43) NOS1DYRK1AMKNK1MAPK1XDH

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-20160257676-A1 Aminoisoquinoline Derivatives as Protein Kinase Inhibitors Eternity Bioscience Inc. (US) 2016-09-08 US disclosed
US-20160257676-A1 Aminoisoquinoline Derivatives as Protein Kinase Inhibitors Eternity Bioscience Inc. (US) 2016-09-08 US disclosed
US-20160257676-A1 Aminoisoquinoline Derivatives as Protein Kinase Inhibitors Eternity Bioscience Inc. (US) 2016-09-08 US disclosed
EP-2895166-A1 AMINOISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2015-07-22 EP disclosed
WO-2014043296-A1 AMINOISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2014-03-20 WO disclosed
WO-2014043296-A1 AMINOISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2014-03-20 WO 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-20160257676-A1 Aminoisoquinoline Derivatives as Protein Kinase Inhibitors BRAF, RAF1, ARAF NOS1 3119/4885METAP2 2613/4885CSNK2A1 368/4885

“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.