SCHEMBL3929172

SCHEMBL3929172

CC(=O)Nc1cc(C(=O)c2ccnc(Cl)c2)cc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
JAK3 P52333 1/20 0.33
MELK Q14680 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.32
NTRK1 P04629 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
FYN P06241 1/20 0.32
PLK1 P53350 1/20 0.32
S1PR1 P21453 1/20 0.32
CREBBP Q92793 1/20 0.31
ROCK2 O75116 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL4794594 0.92 PIK3C3 (0.34) PTGER1CA12CA9PIK3C3S1PR1
SCHEMBL3931607 0.85 HTT (0.39) NTRK1ALDH1A1POLB
SCHEMBL3925441 0.83 PTGES (0.35) PTGER1S1PR1
SCHEMBL3931914 0.79 MEN1 (0.33) PIK3C3ALDH1A1S1PR1
SCHEMBL3931771 0.78 HTT (0.38) PIK3C3ALDH1A1
SCHEMBL3928756 0.78 HPGDS (0.46) JAK3MELKPIK3C3
SCHEMBL3937667 0.76 BRAF (0.39) JAK3NTRK1ALDH1A1POLBFYN
SCHEMBL3938426 0.76 TSHR (0.42) NTRK1ALDH1A1
SCHEMBL3928721 0.74 MAPK10 (0.42) ALDH1A1FYN
SCHEMBL3936691 0.73 BTK (0.30)

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 5 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
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO 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 PTGER1 2340/4885HSP90AA1 3624/4885CA12 397/4885
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 PTGER1 2363/4885HSP90AA1 3586/4885CA12 382/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 PTGER1 1525/4885HSP90AA1 4021/4885CA12 1296/4885

“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.