SCHEMBL3928845

SCHEMBL3928845

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.57
PIP4K2A P48426 1/20 0.50
PIP4K2B P78356 1/20 0.50
PIP4K2C Q8TBX8 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3C3 Q8NEB9 2/20 0.47
PIK3CD O00329 4/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 2/20 0.46
NUDT1 P36639 1/20 0.45
JAK3 P52333 1/20 0.45
MELK Q14680 1/20 0.45
PIK3CA P42336 2/20 0.44
PIM1 P11309 2/20 0.44
GSK3B P49841 2/20 0.44
NTRK1 P04629 1/20 0.43

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
SCHEMBL3925209 0.90 HPGDS (0.55) HPGDSPIP4K2APIP4K2BPIP4K2CPIK3CD
SCHEMBL3929164 0.88 PIK3CD (0.58) HPGDSPIP4K2APIP4K2BPIP4K2CPIK3C3
SCHEMBL3930098 0.88 HPGDS (0.55) HPGDSPIP4K2APIP4K2BPIP4K2CPIK3C3
SCHEMBL3930570 0.87 HPGDS (0.52) HPGDSPIP4K2APIP4K2BPIP4K2CPIK3C3
SCHEMBL3929802 0.84 HPGDS (0.50) HPGDSPIP4K2APIP4K2BPIP4K2CPIK3C3
SCHEMBL4793555 0.84 HPGDS (0.49) HPGDSPIP4K2APIP4K2BPIP4K2CHSD17B10
SCHEMBL4794538 0.83 HPGDS (0.50) HPGDSPIP4K2APIP4K2BPIP4K2CPIK3C3
SCHEMBL3927489 0.83 HPGDS (0.57) HPGDSPIP4K2APIP4K2BPIP4K2CALDH1A1
SCHEMBL3931939 0.82 PIK3CD (0.54) HPGDSPIP4K2APIP4K2BPIP4K2CPIK3CD
SCHEMBL3928764 0.82 HPGDS (0.48) HPGDSPIP4K2APIP4K2BPIP4K2CPIK3C3

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-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-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 HPGDS 2149/4885PIP4K2A 4139/4885PIP4K2B 4263/4885
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 2109/4885PIP4K2A 4090/4885PIP4K2B 4221/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HPGDS 2387/4885PIP4K2A 4321/4885PIP4K2B 4353/4885

“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.