SCHEMBL3938486

SCHEMBL3938486

Brc1cc(Br)cc(Nc2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
NPC1 O15118 3/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 2/20 0.50
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KMT2A Q03164 4/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
RAD52 P43351 1/20 0.45
MEN1 O00255 2/20 0.43
PKM P14618 2/20 0.43
SORT1 Q99523 1/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3927907 0.88 KDM4E (0.51) KIF11NPC1KDM4EL3MBTL1RAB9A
SCHEMBL4776913 0.84 ALDH1A1 (0.55) NPC1KDM4ERAB9AKMT2AMEN1
SCHEMBL3937591 0.84 CYP11B2 (0.45) KIF11NPC1KDM4EL3MBTL1RAB9A
SCHEMBL29793056 0.83 KIF11 (0.60) KIF11NPC1KDM4EL3MBTL1RAB9A
SCHEMBL1368828 0.83 KIF11 (0.60) KIF11NPC1KDM4EL3MBTL1RAB9A
SCHEMBL30396058 0.82 CYP11B1 (0.56) KIF11NPC1KDM4EL3MBTL1RAB9A
SCHEMBL968252 0.82 CYP11B1 (0.56) KIF11NPC1KDM4EL3MBTL1RAB9A
SCHEMBL3937581 0.82 CYP11B1 (0.49) NPC1KDM4ERAB9ACYP11B1CYP11B2
SCHEMBL3933408 0.82 CYP11B1 (0.49) NPC1KDM4EL3MBTL1RAB9ACYP11B1
SCHEMBL3939566 0.82 PTGS1 (0.54) KMT2AMEN1ALDH1A1

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 KIF11 3070/4885NPC1 2440/4885KDM4E 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 KIF11 3091/4885NPC1 2367/4885KDM4E 2283/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KIF11 3262/4885NPC1 1074/4885KDM4E 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.