SCHEMBL1939999

SCHEMBL1939999

CCOC(=O)c1c(C)nc(SC)nc1Nc1cccc(CCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ITK Q08881 3/20 0.41
EGFR P00533 2/20 0.41
BRD4 O60885 3/20 0.41
MAPT P10636 3/20 0.39
ATM Q13315 1/20 0.39
PPARG P37231 1/20 0.38
IDO1 P14902 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AKT1 P31749 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12541394 0.90 ITK (0.42) MAPK1ITKEGFRBRD4MAPT
SCHEMBL1939342 0.79 SYK (0.55) SYKMAPK1HTTMAPTPPARG
SCHEMBL12541550 0.78 JAK1 (0.45) MAPK1ITKEGFRBRD4MAPT
SCHEMBL1939834 0.77 SYK (0.45) SYKMAPK1HTTMAPTPPARG
SCHEMBL1298740 0.77 TP53 (0.56) SYKMAPK1HTTMAPTPOLB
SCHEMBL5887141 0.76 SYK (0.48) SYKMAPK1HTTEGFRMAPT
SCHEMBL1988039 0.75 SYK (0.42) SYKMAPK1ITKEGFRBRD4
SCHEMBL27791753 0.72 CA1 (0.49) MAPTATMIDO1POLBNPSR1
SCHEMBL31156800 0.71 BRD4 (0.44) SYKITKEGFRBRD4POLB
SCHEMBL25809430 0.71 BRD4 (0.44) SYKITKEGFRBRD4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330909-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-09-18 EP disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
EP-2330909-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-06-15 EP disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
WO-2010019637-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010019637-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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-20110136838-A1 CHEMICAL COMPOUNDS PDK1, PDK4, PDK3 SYK 1481/4885MAPK1 201/4885HTT 2920/4885

“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.