SCHEMBL3936896

SCHEMBL3936896

CC(C)[Si](Oc1cc(Br)cc(Nc2cccnc2)c1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
P2RX4 Q99571 1/20 0.38
HTT P42858 1/20 0.36
ALPL P05186 1/20 0.36
LRRK2 Q5S007 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NOTUM Q6P988 1/20 0.34
GRM5 P41594 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
SCHEMBL4776913 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3938486 0.79 KIF11 (0.51) KIF11KDM4EALDH1A1NPC1RAB9A
SCHEMBL3929248 0.78 AKT1 (0.41) AKT1KIF11KDM4EALDH1A1HPGD
SCHEMBL3936699 0.76 KCNA5 (0.45) KIF11KDM4EALDH1A1HPGDNPC1
SCHEMBL3927517 0.75 GCK (0.31)
SCHEMBL3929285 0.73 MEN1 (0.52) AKT1RAB9APOLBLRRK2KMT2A
SCHEMBL3928146 0.72 LRRK2 (0.56) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3937581 0.72 CYP11B1 (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3939566 0.72 PTGS1 (0.54) ALDH1A1ALPLKMT2AMEN1
SCHEMBL3927907 0.72 KDM4E (0.51) KIF11KDM4EALDH1A1NPC1RAB9A

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 AKT1 3309/4885KIF11 3070/4885KDM4E 2309/4885
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 AKT1 3217/4885KIF11 3091/4885KDM4E 2283/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 AKT1 3572/4885KIF11 3262/4885KDM4E 3845/4885

“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.