SCHEMBL954285

SCHEMBL954285

CC(=O)Nc1cc(-c2nc(NC(C)=O)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 9/20 0.49
MAPK14 Q16539 5/20 0.42
GSK3B P49841 6/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
PIP5K1C O60331 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL625542 0.90 MAPK14 (0.47) PIK3C3MAPK14PIP5K1CPIK3CA
SCHEMBL6845074 0.89 PIK3C3 (0.49) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842871 0.88 PIK3C3 (0.48) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842841 0.86 PIK3C3 (0.47) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL952377 0.85 MAPK14 (0.48) PIK3C3MAPK14PIP5K1CPIK3CA
SCHEMBL6842861 0.85 PIK3C3 (0.45) PIK3C3MAPK14GSK3B
SCHEMBL6845075 0.85 PIK3C3 (0.45) PIK3C3MAPK14GSK3BPIP5K1CPIK3CA
SCHEMBL6842868 0.85 MAPK14 (0.47) PIK3C3MAPK14GSK3B
SCHEMBL6842859 0.84 PIK3C3 (0.44) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842856 0.84 KDM4E (0.45) PIK3C3MAPK14GSK3B

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
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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003806-A1 Heteroaryls and uses thereof 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
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
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 (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-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3C3 61/4885MAPK14 899/4885GSK3B 80/4885

“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.