SCHEMBL3934029

SCHEMBL3934029

COc1ccc(COc2cc(Nc3ccccc3)cc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 4/20 0.42
DYRK1A Q13627 3/20 0.42
PPARA Q07869 3/20 0.38
BCHE P06276 4/20 0.37
CNR2 P34972 2/20 0.37
BRD4 O60885 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
GRM5 P41594 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.35
STK10 O94804 1/20 0.35
SLK Q9H2G2 1/20 0.35

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
SCHEMBL3929916 0.91 DYRK1B (0.40) DYRK1BDYRK1ABCHECNR2BRD4
SCHEMBL3929259 0.90 KDR (0.39) DYRK1AEGFRERBB2KMT2AMAPT
SCHEMBL3927709 0.84 MAOB (0.40) BCHECNR2BRD4GRM5KMT2A
SCHEMBL3928837 0.81 GRM5 (0.41) DYRK1ABCHECNR2BRD4GRM5
SCHEMBL3927012 0.79 PDE4B (0.38) GRM5ALDH1A1
SCHEMBL3931122 0.76 KMT2A (0.43) PPARAKMT2AKDM4EALDH1A1MAPT
SCHEMBL3926276 0.76 VNN1 (0.37) PPARABRD4PPARGKMT2AKDM4E
SCHEMBL3925118 0.76 BRD4 (0.32) BCHECNR2BRD4GRM5KMT2A
SCHEMBL3925115 0.75 KDM4E (0.40) PPARAKMT2AKDM4EALDH1A1MAPT
SCHEMBL3925114 0.75 KDM4E (0.40) PPARAKMT2AKDM4EALDH1A1MAPT

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 2352/4885PPARA 2329/4885
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 2538/4885PPARA 2318/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 DYRK1B 2937/4885DYRK1A 2767/4885PPARA 1177/4885

“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.