Sugi Predict

Sugi Predict / Compounds / SCHEMBL3929916

SCHEMBL3929916

SCHEMBL3929916

COc1ccc(COc2cc(Nc3ccc(OCc4ccccc4)nc3)cc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1B Q9Y463 2/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ ACP1 P24666 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ BCHE P06276 4/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ CD274 Q9NZQ7 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ TLR8 Q9NR97 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 0.91 DYRK1B (0.42) DYRK1BDYRK1AKMT2AMEN1BCHE
SCHEMBL3929259 0.85 KDR (0.39) DYRK1AKMT2AMEN1ACP1EGFR
SCHEMBL3927709 0.80 MAOB (0.40) KMT2AMEN1BCHEMAPTKDM4E
SCHEMBL3926276 0.78 VNN1 (0.37) KMT2AMEN1PABPC1MAPTKDM4E
SCHEMBL3928837 0.78 GRM5 (0.41) DYRK1AKMT2AMEN1BCHEMAPT
SCHEMBL3927012 0.78 PDE4B (0.38) CD274ALDH1A1MAPK1
SCHEMBL3927138 0.74 MEN1 (0.50) DYRK1BDYRK1AKMT2AMEN1PABPC1
SCHEMBL3931122 0.73 KMT2A (0.43) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3937320 0.72 AAK1 (0.34) FYN
SCHEMBL3925114 0.72 KDM4E (0.40) KMT2AMEN1MAPTKDM4EALDH1A1

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 DYRK1B 2882/4885DYRK1A 2352/4885KMT2A 2531/4885
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 DYRK1B 3082/4885DYRK1A 2538/4885KMT2A 2491/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 DYRK1B 2937/4885DYRK1A 2767/4885KMT2A 3984/4885

“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.