SCHEMBL15577697

SCHEMBL15577697

Nc1ncc2cc(Br)ccc2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.43
JAK2 O60674 2/20 0.43
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 2/20 0.40
CLK1 P49759 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
PLAU P00749 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
NTRK3 Q16288 1/20 0.39
ACHE P22303 1/20 0.38
NOS1 P29475 1/20 0.36
METAP2 P50579 1/20 0.36
CSNK2A1 P68400 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
SCHEMBL24503717 0.85 KIT (0.48) PDPK1JAK2KMT2AHTTKDM4E
SCHEMBL15577611 0.81 PDPK1 (0.41) PDPK1JAK2KMT2AHTTKDM4E
SCHEMBL9939229 0.78 ABL1 (0.53) PDPK1JAK2KMT2AHTTKDM4E
SCHEMBL15577824 0.75 CLK1 (0.46) PDPK1JAK2KMT2AHTTMAPT
SCHEMBL2858453 0.73 C1S (0.48) PDPK1JAK2KMT2AHTTKDM4E
SCHEMBL15577562 0.73 ABL1 (0.38) PDPK1JAK2KMT2AHTTKDM4E
SCHEMBL28778104 0.72 PTGES (0.45) HTTKDM4EBACE1PABPC1
SCHEMBL17437190 0.72 HTT (0.46) PDPK1JAK2KMT2AHTTMEN1
SCHEMBL28301397 0.71 KDM4E (0.50) PDPK1KMT2AHTTKDM4EALDH1A1
SCHEMBL29627982 0.71 ROCK1 (0.58) PDPK1JAK2KMT2AHTTKDM4E

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 PDPK1 118/4885JAK2 86/4885KMT2A 594/4885

“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.