SCHEMBL4540461

SCHEMBL4540461

Nc1n[nH]c2ccc(-c3c[nH]c4ncccc34)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.55
CDC7 O00311 4/20 0.54
CDK2 P24941 3/20 0.54
MAP4K4 O95819 3/20 0.54
PIM1 P11309 3/20 0.54
PRKACA P17612 3/20 0.54
GSK3B P49841 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
ROCK2 O75116 2/20 0.54
HIPK2 Q9H2X6 2/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
DYRK1A Q13627 7/20 0.53
CDK9 P50750 3/20 0.53
CDK5 Q00535 3/20 0.53
JAK3 P52333 2/20 0.53
DAPK3 O43293 2/20 0.53
PRKD3 O94806 2/20 0.53
PAK4 O96013 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CLK2 P49760 2/20 0.53

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
SCHEMBL14020099 0.80 CCNK (0.58) DYRK1BCDK2MAP4K4PRKACACLK4
SCHEMBL31420118 0.80 CCNK (0.58) DYRK1BCDK2MAP4K4PRKACACLK4
SCHEMBL31006512 0.78 DYRK1A (0.66) DYRK1BGSK3BDYRK1ACDK9CCNT1
SCHEMBL29283821 0.78 DYRK1A (0.66) DYRK1BGSK3BDYRK1ACDK9CCNT1
SCHEMBL18136619 0.77 DYRK1A (0.54) DYRK1BCDC7CDK2MAP4K4PIM1
SCHEMBL30233270 0.76 DYRK1B (0.73) DYRK1BCDC7CDK2MAP4K4PIM1
SCHEMBL18136860 0.76 DYRK1A (0.55) DYRK1BCDC7CDK2MAP4K4PIM1
SCHEMBL18136895 0.76 DYRK1B (0.55) DYRK1BCDC7CDK2MAP4K4PIM1
SCHEMBL12281648 0.76 DYRK1B (0.73) DYRK1BCDC7CDK2MAP4K4PIM1
SCHEMBL857887 0.76 CDC7 (0.69) DYRK1BCDC7CDK2MAP4K4PIM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US claimed
US-10160755-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-12-25 US disclosed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
WO-2016164641-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-10-13 WO disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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 (2 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-10160755-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K11, MAP4K2, PLK1 DYRK1B 390/4885CDC7 375/4885CDK2 32/4885
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 DYRK1B 390/4885CDC7 375/4885CDK2 32/4885

“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.