Sugi Predict

Sugi Predict / Compounds / SCHEMBL3929259

SCHEMBL3929259

SCHEMBL3929259

COc1ccc(COc2cc(Nc3ccc(C#N)cc3)cc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.39
▸ ACP1 P24666 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CYP26A1 O43174 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PDCD1 Q15116 2/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3934029 0.90 DYRK1B (0.42) MEN1KMT2AMAPTHPGDEGFR
SCHEMBL3929916 0.85 DYRK1B (0.40) ACP1MEN1KMT2ACD274MAPT
SCHEMBL3927709 0.80 MAOB (0.40) MEN1KMT2AGAAMAPTHPGD
SCHEMBL3928837 0.77 GRM5 (0.41) CYP19A1MEN1KMT2ACYP3A4GAA
SCHEMBL3927012 0.75 PDE4B (0.38) CYP19A1CYP3A4CD274TP53MAPK1
SCHEMBL3931122 0.74 KMT2A (0.43) CYP19A1MEN1KMT2AGAAMAPT
SCHEMBL3926276 0.74 VNN1 (0.37) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL3925114 0.73 KDM4E (0.40) CYP19A1MEN1KMT2AGAAMAPT
SCHEMBL3925115 0.73 KDM4E (0.40) CYP19A1MEN1KMT2AGAAMAPT
SCHEMBL3925118 0.72 BRD4 (0.32) MEN1KMT2AGAAMAPTHPGD

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 KDR 2884/4885ACP1 3167/4885ABCG2 13/4885
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 KDR 2956/4885ACP1 3162/4885ABCG2 12/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KDR 1713/4885ACP1 3661/4885ABCG2 75/4885

“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.