SCHEMBL952802

SCHEMBL952802

CCOc1nc(-c2ccnc(NC(C)=O)c2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.53
MAPK14 Q16539 1/20 0.47
BCHE P06276 4/20 0.46
ACHE P22303 4/20 0.46

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
SCHEMBL952077 0.90 GSK3B (0.63) GSK3BBCHEACHE
SCHEMBL954063 0.89 GSK3B (0.66) GSK3BMAPK14BCHEACHE
SCHEMBL954260 0.80 CDC7 (0.60) GSK3BMAPK14
SCHEMBL955917 0.79 CDC7 (0.69) GSK3B
SCHEMBL953912 0.79 MAPK14 (0.42) GSK3BMAPK14
SCHEMBL623030 0.78 GSK3B (0.56) GSK3BMAPK14
SCHEMBL957562 0.78 CDC7 (0.71) GSK3BMAPK14
SCHEMBL23106084 0.76 GSK3B (0.84) GSK3BBCHEACHE
SCHEMBL627307 0.75 PIK3C3 (0.50) GSK3BMAPK14BCHEACHE
SCHEMBL12947669 0.74 CDC7 (0.45) GSK3BMAPK14

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 62/4885MAPK14 102/4885BCHE 4624/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GSK3B 80/4885MAPK14 899/4885BCHE 4383/4885

“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.