SCHEMBL3928754

SCHEMBL3928754

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CG P48736 2/20 0.47
ASH1L Q9NR48 1/20 0.47
HPGDS O60760 6/20 0.47
PRKCI P41743 1/20 0.41
PIM1 P11309 2/20 0.41
GSK3B P49841 2/20 0.41
PIK3CA P42336 1/20 0.41
MAP2K1 Q02750 1/20 0.41
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
BACE1 P56817 1/20 0.39
NUDT1 P36639 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL3929341 0.88 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGASH1LHPGDS
SCHEMBL3936806 0.83 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGASH1LHPGDS
SCHEMBL3930570 0.82 HPGDS (0.52) PIK3CDPIK3CBPIK3CGHPGDSPIM1
SCHEMBL3928580 0.81 PIP4K2A (0.59) PIK3CDPIK3CBPIK3CGASH1LHPGDS
SCHEMBL3928176 0.81 HPGDS (0.51) PIK3CDPIK3CBPIK3CGASH1LHPGDS
SCHEMBL3928111 0.80 HPGDS (0.67) PIK3CDPIK3CBPIK3CGHPGDSPIM1
SCHEMBL3924767 0.80 HPGDS (0.50) PIK3CDPIK3CBPIK3CGASH1LHPGDS
SCHEMBL3931037 0.80 ALDH1A1 (0.43) PIK3CDPIK3CBPIK3CGASH1LHPGDS
SCHEMBL3932790 0.79 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGASH1LHPGDS
SCHEMBL3931593 0.79 TUBB4A (0.43) PIK3CDPIK3CBPIK3CGASH1LHPGDS

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 9 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 claimed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
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 PIK3CD 4329/4885PIK3CB 4341/4885PIK3CG 3861/4885
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 PIK3CD 4252/4885PIK3CB 4281/4885PIK3CG 3787/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 PIK3CD 4464/4885PIK3CB 4461/4885PIK3CG 4326/4885

“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.