SCHEMBL954063

SCHEMBL954063

CCOC(=O)c1sc(-c2ccnc(NC(C)=O)c2)nc1OCC

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.66
CDC7 O00311 8/20 0.55
DBF4 Q9UBU7 8/20 0.55
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MAPK14 Q16539 1/20 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
SCHEMBL952802 0.89 GSK3B (0.53) GSK3BBCHEACHEMAPK14
SCHEMBL955917 0.88 CDC7 (0.69) GSK3BCDC7DBF4
SCHEMBL952077 0.88 GSK3B (0.63) GSK3BCDC7DBF4BCHEACHE
SCHEMBL623030 0.87 GSK3B (0.56) GSK3BCDC7DBF4MAPK14
SCHEMBL957562 0.85 CDC7 (0.71) GSK3BCDC7DBF4MAPK14
SCHEMBL28880343 0.81 GSK3B (0.80) GSK3BCDC7DBF4BCHEACHE
SCHEMBL954140 0.81 CDC7 (0.69) GSK3BCDC7DBF4BCHEACHE
SCHEMBL623323 0.80 GSK3B (0.49) GSK3BCDC7DBF4MAPK14
SCHEMBL953912 0.77 MAPK14 (0.42) GSK3BCDC7DBF4MAPK14
SCHEMBL23106072 0.76 GSK3B (0.74) GSK3BCDC7DBF4BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 GSK3B 62/4885CDC7 601/4885DBF4 3288/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GSK3B 80/4885CDC7 1063/4885DBF4 3779/4885

“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.