SCHEMBL4013231

SCHEMBL4013231

COc1cc(Br)cc(Nc2cccnc2)c1.COc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
HPGDS O60760 7/20 0.44
PIK3CD O00329 2/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ATM Q13315 1/20 0.40
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BRAF P15056 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
SCHEMBL3936358 0.94 MAPK14 (0.51) MAPK14HPGDSPIK3CDPIK3CBPIK3CG
SCHEMBL3927125 0.81 HPGDS (0.50) MAPK14HPGDSPIK3CDPIK3CBPIK3CG
SCHEMBL4776913 0.80 ALDH1A1 (0.55) ALDH1A1HPGD
SCHEMBL3925456 0.80 HPGDS (0.52) MAPK14HPGDSPIK3CDPIK3CBPIK3CG
SCHEMBL3930444 0.79 HPGDS (0.50) MAPK14HPGDSPIK3CDPIK3CBPIK3CG
SCHEMBL3931746 0.79 PIK3CD (0.56) MAPK14HPGDSPIK3CDPIK3CBPIK3CG
SCHEMBL3938224 0.79 HPGDS (0.54) MAPK14HPGDSPIK3CDPIK3CBPIK3CG
SCHEMBL3929221 0.79 HPGDS (0.52) MAPK14HPGDSPIK3CDPIK3CBPIK3CG
SCHEMBL3927529 0.79 CSNK2B (0.51) MAPK14HPGDSPIK3CDPIK3CBPIK3CG
SCHEMBL29831464 0.78 HPGDS (0.61) MAPK14HPGDSPIK3CDPIK3CBPIK3CG

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 4 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
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 MAPK14 4350/4885HPGDS 2149/4885PIK3CD 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 MAPK14 4350/4885HPGDS 2109/4885PIK3CD 4252/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 MAPK14 3831/4885HPGDS 2387/4885PIK3CD 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.