SCHEMBL3924767

SCHEMBL3924767

CN(C)C(=O)Nc1cc(C(=O)c2cccnc2)cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.50
BACE1 P56817 2/20 0.42
PIK3CD O00329 4/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 2/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
PIM1 P11309 2/20 0.41
GSK3B P49841 2/20 0.41
PIK3CA P42336 1/20 0.41
ASH1L Q9NR48 1/20 0.39
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3930570 0.89 HPGDS (0.52) HPGDSBACE1PIK3CDPIK3CBPIK3CG
SCHEMBL3928176 0.88 HPGDS (0.51) HPGDSBACE1PIK3CDPIK3CBPIK3CG
SCHEMBL3928111 0.87 HPGDS (0.67) HPGDSBACE1PIK3CDPIK3CBPIK3CG
SCHEMBL3936940 0.86 HPGDS (0.55) HPGDSBACE1PIK3CDPIK3CBPIK3CG
SCHEMBL3928580 0.85 PIP4K2A (0.59) HPGDSBACE1PIK3CDPIK3CBPIK3CG
SCHEMBL3929341 0.81 PIK3CD (0.48) HPGDSBACE1PIK3CDPIK3CBPIK3CG
SCHEMBL3927136 0.81 HPGDS (0.52) HPGDSTDP1
SCHEMBL3928754 0.80 PIK3CD (0.47) HPGDSBACE1PIK3CDPIK3CBPIK3CG
SCHEMBL3929354 0.78 HPGDS (0.52) HPGDSPIK3CDPIK3CBPIK3CGPIP4K2A
SCHEMBL4794662 0.76 HPGDS (0.46) HPGDSPIK3CDPIK3CBPIK3CGPIP4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
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
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 HPGDS 2149/4885BACE1 4809/4885PIK3CD 4329/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 HPGDS 2109/4885BACE1 4808/4885PIK3CD 4252/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HPGDS 2387/4885BACE1 4412/4885PIK3CD 4464/4885

“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.