SCHEMBL3929285

SCHEMBL3929285

Brc1cc(Nc2cccnc2)cc(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LRRK2 Q5S007 6/20 0.51
AKT1 P31749 1/20 0.51
SGMS2 Q8NHU3 5/20 0.49
MAPK1 P28482 2/20 0.48
MAOB P27338 1/20 0.47
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL3928146 0.88 LRRK2 (0.56) MEN1KMT2ALRRK2SGMS2MAPK1
SCHEMBL29831781 0.81 AKT1 (0.52) MEN1KMT2ALRRK2AKT1SGMS2
SCHEMBL4776913 0.79 ALDH1A1 (0.55) MEN1KMT2ARAB9APOLB
SCHEMBL3931327 0.78 DGAT1 (0.50) MEN1KMT2ALRRK2AKT1SGMS2
SCHEMBL3938486 0.78 KIF11 (0.51) MEN1KMT2AMAPK1RAB9A
SCHEMBL3927138 0.77 MEN1 (0.50) MEN1KMT2ASGMS2MAOBRAB9A
SCHEMBL3936855 0.76 SGMS2 (0.46) MEN1KMT2ALRRK2AKT1SGMS2
SCHEMBL3929248 0.75 AKT1 (0.41) MEN1KMT2ALRRK2AKT1RAB9A
SCHEMBL7260691 0.74 KMT2A (0.64) MEN1KMT2AMAPK1RAB9A
SCHEMBL10046165 0.74 MAOB (0.72) MEN1KMT2AMAOBRAB9A

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 MEN1 2463/4885KMT2A 2531/4885LRRK2 2439/4885
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 MEN1 2359/4885KMT2A 2491/4885LRRK2 2481/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 MEN1 1354/4885KMT2A 3984/4885LRRK2 1049/4885

“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.