SCHEMBL14907974

SCHEMBL14907974

CC(C)(C)OC(=O)NCCCNc1nccc(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.59
STK17A Q9UEE5 1/20 0.59
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA2B P29275 1/20 0.47
BRD4 O60885 5/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
DYRK1A Q13627 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL14907944 0.92 BCHE (0.49) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL13333049 0.85 STK17B (0.51) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL14907973 0.85 STK17B (0.65) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL13306411 0.82 PDPK1 (0.50) STK17BSTK17AADORA2AADORA1BRD4
SCHEMBL31436060 0.81 STK17B (0.58) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436059 0.80 STK17B (0.62) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL30475386 0.80 TDP1 (0.56) STK17BSTK17AADORA2AADORA1BRD4
SCHEMBL17564533 0.80 STK17B (0.62) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL3778944 0.80 HRH3 (0.59) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL17155172 0.79 STK17B (0.55) STK17BSTK17AADORA2AADORA1ADORA2B

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-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B STK17B 2393/4885STK17A 2807/4885ADORA2A 1621/4885

“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.