SCHEMBL3937422

SCHEMBL3937422

COC(=O)Nc1cc(C(=O)c2cc(C)nc(Cl)c2)cc(-c2cccc3[nH]ccc23)c1.Cc1cc(C(=O)c2cc(Br)cc(Br)c2)cc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.43
PIK3CD O00329 2/20 0.38
PIM1 P11309 2/20 0.38
PIK3CB P42338 2/20 0.38
GSK3B P49841 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
FTO Q9C0B1 1/20 0.37
ABL1 P00519 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MCHR1 Q99705 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL4794385 0.95 HPGDS (0.45) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3927726 0.91 HPGDS (0.44) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4913243 0.89 ATR (0.42) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL4908010 0.89 HPGDS (0.41) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3933459 0.89 HPGDS (0.48) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4795668 0.85 HPGDS (0.46) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4796842 0.85 HPGDS (0.46) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3929384 0.85 HPGDS (0.43) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4794843 0.83 HPGDS (0.44) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4154298 0.83 HPGDS (0.46) 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 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 HPGDS 2149/4885PIK3CD 4329/4885PIM1 2246/4885
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 2109/4885PIK3CD 4252/4885PIM1 2207/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HPGDS 2387/4885PIK3CD 4464/4885PIM1 1874/4885

“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.