SCHEMBL3933028

SCHEMBL3933028

CC(=O)N(c1cccnc1)c1cccc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
FYN P06241 2/20 0.35
DHPS P49366 1/20 0.34
CYP11B2 P19099 2/20 0.33
NTSR1 P30989 2/20 0.33
CYP11B1 P15538 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNA5 P22460 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
ASH1L Q9NR48 1/20 0.32
MAPK10 P53779 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
ATR Q13535 1/20 0.31
TEK Q02763 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 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
SCHEMBL3928158 0.75 PIK3CD (0.50) FYNABL1ASH1LPIK3C3
SCHEMBL3937667 0.75 BRAF (0.39) FYNATRCYP3A4CYP2C9CYP2C19
SCHEMBL3931607 0.73 HTT (0.39)
SCHEMBL3936362 0.72 NAMPT (0.42) PIK3C3CYP2C9
SCHEMBL3930000 0.69 KMT2A (0.35) MAPK14KCNA5ABL1BCRTEK
SCHEMBL3928721 0.69 MAPK10 (0.42) FYNKCNA5MAPK10CYP3A4CYP2C9
SCHEMBL3931771 0.68 HTT (0.38) PIK3C3TEK
SCHEMBL3938426 0.68 TSHR (0.42) L3MBTL1CYP3A4CYP2C9
SCHEMBL3929961 0.67 GRM5 (0.49) KCNA5CYP3A4CYP2C9CYP2C19
SCHEMBL7982484 0.66 HTT (0.49) KCNA5

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 MAPK14 4350/4885FYN 1524/4885DHPS 2820/4885
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 4350/4885FYN 1515/4885DHPS 2699/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 MAPK14 3831/4885FYN 2423/4885DHPS 2682/4885

“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.