SCHEMBL3928837

SCHEMBL3928837

COc1ccc(COc2cc(-c3cccnc3)cc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
CYP19A1 P11511 2/20 0.39
CYP2C9 P11712 1/20 0.39
PIK3CD O00329 1/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK1A Q13627 1/20 0.38
SMPD1 P17405 1/20 0.36
CYP17A1 P05093 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 2/20 0.36

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
SCHEMBL3927012 0.89 PDE4B (0.38) GRM5CYP11B1CYP11B2CYP19A1CYP2C9
SCHEMBL3931122 0.86 KMT2A (0.43) CYP19A1SMPD1MEN1ALDH1A1GAA
SCHEMBL3925115 0.85 KDM4E (0.40) CYP11B1CYP11B2CYP19A1CYP2C9SMPD1
SCHEMBL3925114 0.85 KDM4E (0.40) CYP11B1CYP11B2CYP19A1CYP2C9SMPD1
SCHEMBL3927709 0.84 MAOB (0.40) GRM5SMPD1MEN1ALDH1A1GAA
SCHEMBL3934029 0.81 DYRK1B (0.42) GRM5DYRK1AMEN1ALDH1A1MAPT
SCHEMBL3925118 0.81 BRD4 (0.32) GRM5MEN1ALDH1A1GAAMAPT
SCHEMBL3933515 0.78 LRRK2 (0.43) CYP11B1CYP11B2SMPD1MEN1ALDH1A1
SCHEMBL3929916 0.78 DYRK1B (0.40) DYRK1AMEN1ALDH1A1MAPTKMT2A
SCHEMBL3926276 0.78 VNN1 (0.37) SMPD1MEN1ALDH1A1MAPTKMT2A

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 GRM5 1826/4885CYP11B1 1504/4885CYP11B2 2214/4885
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 GRM5 1810/4885CYP11B1 1407/4885CYP11B2 2099/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 GRM5 2240/4885CYP11B1 615/4885CYP11B2 1137/4885

“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.