SCHEMBL3929384

SCHEMBL3929384

COC(=O)Nc1cc(C(=O)c2ccnc(OC)c2)cc(-c2cccc3[nH]ccc23)c1.COc1cc(C(=O)c2cc(Br)cc(Br)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.43
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
PIK3CD O00329 3/20 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
ABL1 P00519 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 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
SCHEMBL4793442 0.95 HPGDS (0.45) HPGDSKCNK3KCNK9PIK3CDPIM1
SCHEMBL3927726 0.91 HPGDS (0.44) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3929850 0.88 HPGDS (0.45) HPGDSKCNK3KCNK9PIK3CDPIM1
SCHEMBL4796842 0.85 HPGDS (0.46) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL4795668 0.85 HPGDS (0.46) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3937422 0.85 HPGDS (0.43) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3933505 0.83 PIP4K2A (0.52) HPGDSKCNK3KCNK9PIK3CDPIM1
SCHEMBL4163525 0.82 HPGDS (0.45) HPGDSPIK3CDPIM1PIK3CBGSK3B
SCHEMBL3939593 0.81 KCNK3 (0.46) KCNK3KCNK9GSK3BCNR1
SCHEMBL4908010 0.81 HPGDS (0.41) 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 2149/4885KCNK3 1783/4885KCNK9 3501/4885
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 2109/4885KCNK3 1797/4885KCNK9 3554/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HPGDS 2387/4885KCNK3 1938/4885KCNK9 3675/4885

“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.