SCHEMBL4154298

SCHEMBL4154298

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.46
FTO Q9C0B1 1/20 0.43
PIK3CD O00329 2/20 0.39
PIM1 P11309 2/20 0.39
PIK3CB P42338 2/20 0.39
GSK3B P49841 2/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
MAPK14 Q16539 2/20 0.39
MCHR1 Q99705 1/20 0.39
ABL1 P00519 1/20 0.38
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
ADORA2A P29274 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 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
SCHEMBL4156340 0.94 HPGDS (0.48) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL4794385 0.88 HPGDS (0.45) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL4917095 0.87 HPGDS (0.43) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL3933459 0.83 HPGDS (0.48) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL3937422 0.83 HPGDS (0.43) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL3938224 0.82 HPGDS (0.54) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL4163525 0.80 HPGDS (0.45) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL4796842 0.79 HPGDS (0.46) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4795668 0.79 HPGDS (0.46) HPGDSFTOPIK3CDPIM1PIK3CB
SCHEMBL3931179 0.78 HPGDS (0.47) HPGDSPIK3CDPIM1PIK3CBGSK3B

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 2149/4885FTO 4573/4885PIK3CD 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 2109/4885FTO 4550/4885PIK3CD 4252/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HPGDS 2387/4885FTO 4717/4885PIK3CD 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.