SCHEMBL3937591

SCHEMBL3937591

N#Cc1cc(Br)cc(Nc2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.45
CYP11B1 P15538 3/20 0.45
KIF11 P52732 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LRRK2 Q5S007 1/20 0.41
GAA P10253 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ALPL P05186 1/20 0.40
LMNA P02545 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
CYP17A1 P05093 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL3938486 0.84 KIF11 (0.51) CYP11B2CYP11B1KIF11KDM4ENPC1
SCHEMBL30751462 0.82 KIF11 (0.46) CYP11B2CYP11B1KIF11KDM4ENPC1
SCHEMBL27374681 0.82 KIF11 (0.46) CYP11B2CYP11B1KIF11KDM4ENPC1
SCHEMBL3751711 0.81 MAP4K4 (0.42) KDM4EL3MBTL1LRRK2GAAABCG2
SCHEMBL3750402 0.81 ALDH1A1 (0.46) KDM4EL3MBTL1GAAABCG2LMNA
SCHEMBL6800254 0.78 CYP11B2 (0.59) CYP11B2CYP11B1KIF11GAAABCG2
SCHEMBL3927907 0.77 KDM4E (0.51) CYP11B2CYP11B1KIF11KDM4ENPC1
SCHEMBL25159882 0.74 CYP11B2 (0.60) CYP11B2CYP11B1KDM4ELMNACYP17A1
SCHEMBL4776913 0.73 ALDH1A1 (0.55) KDM4ENPC1RAB9AGAAALPL
SCHEMBL3758248 0.73 KDR (0.43) ABCG2ADRA2AADRA2BADRA2C

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 4 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
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 CYP11B2 2214/4885CYP11B1 1504/4885KIF11 3070/4885
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 CYP11B2 2099/4885CYP11B1 1407/4885KIF11 3091/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 CYP11B2 1137/4885CYP11B1 615/4885KIF11 3262/4885

“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.