SCHEMBL4780028

SCHEMBL4780028

Nc1nccc(-c2cc(Br)cc(Br)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 5/20 0.58
HSP90AA1 P07900 3/20 0.58
AURKA O14965 2/20 0.58
ADORA2A P29274 1/20 0.58
KMO O15229 1/20 0.54
HSP90AB1 P08238 1/20 0.51
PTK2 Q05397 1/20 0.51
CDK5 Q00535 6/20 0.48
CDK5R1 Q15078 6/20 0.48
GSK3B P49841 5/20 0.48
CCNB2 O95067 4/20 0.48
CDK1 P06493 4/20 0.48
CCNB1 P14635 4/20 0.48
PRKACG P22612 4/20 0.48
PRKACB P22694 4/20 0.48
CCNB3 Q8WWL7 4/20 0.48
CSNK1A1 P48729 3/20 0.48
CSNK1D P48730 3/20 0.48
CSNK1E P49674 3/20 0.48
CSNK1G2 P78368 3/20 0.48

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
SCHEMBL4781250 0.88 PRKACA (0.50) PRKACAHSP90AA1AURKAADORA2AKMO
SCHEMBL481304 0.84 PRKACA (0.62) PRKACAHSP90AA1AURKAADORA2AKMO
SCHEMBL474287 0.82 HSP90AA1 (0.66) PRKACAHSP90AA1AURKAADORA2AKMO
SCHEMBL10917438 0.77 HSP90AA1 (0.58) PRKACAHSP90AA1AURKAADORA2AKMO
SCHEMBL4781091 0.75 CDK5 (0.50) PRKACAAURKACDK5CDK5R1GSK3B
SCHEMBL27770164 0.74 KMO (0.55) PRKACAHSP90AA1AURKAADORA2AKMO
SCHEMBL316210 0.74 HSP90AA1 (1.00) PRKACAHSP90AA1AURKAADORA2AKMO
SCHEMBL21164006 0.74 HSP90AA1 (0.70) PRKACAHSP90AA1AURKAADORA2AKMO
SCHEMBL2684649 0.74 HSP90AA1 (0.70) PRKACAHSP90AA1AURKAADORA2AKMO
SCHEMBL27115833 0.73 KMO (0.59) PRKACAHSP90AA1AURKAADORA2AKMO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 PRKACA 3122/4885HSP90AA1 4021/4885AURKA 3710/4885

“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.