SCHEMBL6842842

SCHEMBL6842842

O=C(Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)c(-c3ncc[nH]3)s2)ccn1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.47
GSK3A P49840 1/20 0.45
ACHE P22303 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
CDC7 O00311 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
DBF4 Q9UBU7 1/20 0.41

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
SCHEMBL16938034 0.92 GSK3B (0.50) GSK3B
SCHEMBL12947756 0.92 GSK3B (0.46) GSK3BGSK3AACHEPIK3C3
SCHEMBL954402 0.89 CDC7 (0.43) GSK3BPIK3C3CDC7CCNE1CDK2
SCHEMBL6842828 0.88 MAPK14 (0.43) GSK3BGSK3ACDC7CCNE1CDK2
SCHEMBL6842829 0.87 CDC7 (0.42) GSK3BPIK3C3CDC7CCNE1CDK2
SCHEMBL12918232 0.84 GSK3B (0.48) GSK3BGSK3APIK3C3
SCHEMBL6842830 0.82 PIK3C3 (0.42) GSK3BPIK3C3CDC7DBF4
SCHEMBL16938029 0.81 MAPK14 (0.47) GSK3BCDC7CCNE1CDK2DBF4
SCHEMBL952961 0.81 GSK3B (0.43) GSK3BGSK3APIK3C3
SCHEMBL6842866 0.81 PIK3C3 (0.42) GSK3BPIK3C3CDC7DBF4

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 8 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-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
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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 62/4885GSK3A 90/4885ACHE 4845/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GSK3B 80/4885GSK3A 128/4885ACHE 4721/4885

“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.