SCHEMBL4156340

SCHEMBL4156340

COC(=O)Nc1cc(Nc2cc(C)nc(C)c2)cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.48
MAPK14 Q16539 4/20 0.41
FTO Q9C0B1 1/20 0.41
PIK3CD O00329 3/20 0.41
PIM1 P11309 2/20 0.41
PIK3CB P42338 2/20 0.41
GSK3B P49841 2/20 0.41
ABL1 P00519 1/20 0.41
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
PLCG1 P19174 1/20 0.38

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
SCHEMBL4154298 0.94 HPGDS (0.46) HPGDSMAPK14FTOPIK3CDPIM1
SCHEMBL4917095 0.91 HPGDS (0.43) HPGDSMAPK14FTOPIK3CDPIM1
SCHEMBL3933459 0.89 HPGDS (0.48) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL3938224 0.85 HPGDS (0.54) HPGDSMAPK14FTOPIK3CDPIM1
SCHEMBL4794385 0.83 HPGDS (0.45) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL4163525 0.83 HPGDS (0.45) HPGDSMAPK14FTOPIK3CDPIM1
SCHEMBL3931179 0.81 HPGDS (0.47) HPGDSMAPK14PIK3CDPIM1PIK3CB
SCHEMBL4794843 0.81 HPGDS (0.44) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL3928553 0.81 PIK3CD (0.55) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL3933604 0.80 HPGDS (0.42) HPGDSMAPK14FTOPIK3CDPIM1

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 6 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-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 (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 2149/4885MAPK14 4350/4885FTO 4573/4885
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 2109/4885MAPK14 4350/4885FTO 4550/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HPGDS 2387/4885MAPK14 3831/4885FTO 4717/4885

“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.