SCHEMBL4171248

SCHEMBL4171248

C#Cc1ccc(-c2nnc(-c3ccccc3C(N)c3ccncc3)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.34
IDO1 P14902 1/20 0.32
MAPK13 O15264 2/20 0.31
RAF1 P04049 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
MAPK14 Q16539 2/20 0.31
TEK Q02763 1/20 0.30

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
SCHEMBL4177413 0.86 NPY5R (0.37) IDO1MAPK13RAF1MAPK12MAPK11
SCHEMBL4171111 0.76 TEK (0.44) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL4171251 0.71 ADRA2C (0.48)
SCHEMBL27451001 0.63 CYP19A1 (0.42) IDO1
SCHEMBL4758132 0.61 SLC6A3 (0.65)
SCHEMBL6436789 0.61 SLC6A3 (0.65)
SCHEMBL140223 0.61 HDAC8 (0.71) HDAC8MAPK14
SCHEMBL3998608 0.61 SLC6A3 (0.65)
SCHEMBL10000033 0.61 LMNA (0.53) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL27503629 0.61 SLC6A2 (0.48) HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 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 (2 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL HDAC8 107/4885IDO1 3078/4885MAPK13 2691/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL HDAC8 107/4885IDO1 3078/4885MAPK13 2691/4885

“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.