SCHEMBL4781091

SCHEMBL4781091

Nc1nccc(-c2cc(Br)cc(-c3cccc4[nH]ccc34)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.50
CDK5R1 Q15078 8/20 0.50
GSK3B P49841 8/20 0.50
CLK1 P49759 5/20 0.50
DYRK1A Q13627 3/20 0.50
MAP3K14 Q99558 3/20 0.50
CCNB2 O95067 5/20 0.49
CDK1 P06493 5/20 0.49
CCNB1 P14635 5/20 0.49
PRKACA P17612 5/20 0.49
PRKACG P22612 5/20 0.49
PRKACB P22694 5/20 0.49
CCNB3 Q8WWL7 5/20 0.49
CSNK1A1 P48729 3/20 0.49
CSNK1D P48730 3/20 0.49
CSNK1E P49674 3/20 0.49
CSNK1G2 P78368 3/20 0.49
CSNK1G1 Q9HCP0 3/20 0.49
PDPK1 O15530 3/20 0.49
CYP1A1 P04798 1/20 0.49

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
SCHEMBL4775051 0.88 GSK3B (0.50) CDK5CDK5R1GSK3BCLK1DYRK1A
SCHEMBL4781310 0.83 PIP4K2A (0.59) CDK5CDK5R1GSK3BCLK1DYRK1A
SCHEMBL3615777 0.82 GSK3B (0.67) CDK5CDK5R1GSK3BCLK1DYRK1A
SCHEMBL4914223 0.81 PIK3CD (0.55) GSK3BPIM1PIK3CDPIK3CBPIK3CG
SCHEMBL4780028 0.75 PRKACA (0.58) CDK5CDK5R1GSK3BCLK1MAP3K14
SCHEMBL481304 0.74 PRKACA (0.62) CDK5CDK5R1GSK3BCLK1DYRK1A
SCHEMBL31456259 0.72 PIK3CD (0.58) GSK3BPIM1PIK3CDPIK3CBPIK3CG
SCHEMBL6322509 0.71 ASH1L (0.59) CSNK1DPIK3CDPIK3CBPIK3CGCSNK2B
SCHEMBL4794242 0.70 PIK3CD (0.45) GSK3BPIM1PIK3CDPIK3CBPIK3CG
SCHEMBL5830444 0.70 PIK3CD (0.58) CDK5CDK5R1CLK1PIK3CDPIK3CB

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-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 CDK5 288/4885CDK5R1 228/4885GSK3B 3241/4885

“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.