SCHEMBL6842839

SCHEMBL6842839

CC(=O)Nc1cc(-c2nc(-c3ccc(N)nc3)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 16/20 0.47
CYP3A4 P08684 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPK14 Q16539 3/20 0.41
GSK3B P49841 2/20 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
SCHEMBL12947613 0.88 TGFBR1 (0.49) PIK3C3MAPK14GSK3B
SCHEMBL6845134 0.88 PIK3C3 (0.46) PIK3C3MAPK14GSK3B
SCHEMBL6842861 0.87 PIK3C3 (0.45) PIK3C3MAPK14GSK3B
SCHEMBL6845075 0.87 PIK3C3 (0.45) PIK3C3PIK3CAMAPK14GSK3B
SCHEMBL6842868 0.87 MAPK14 (0.47) PIK3C3MAPK14GSK3B
SCHEMBL6842841 0.87 PIK3C3 (0.47) PIK3C3MAPK14GSK3B
SCHEMBL13257572 0.86 MAPK14 (0.44) PIK3C3MAPK14GSK3B
SCHEMBL6842856 0.86 KDM4E (0.45) PIK3C3MAPK14GSK3B
SCHEMBL952377 0.86 MAPK14 (0.48) PIK3C3PIK3CAMAPK14
SCHEMBL6842883 0.85 MAPK14 (0.49) 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 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
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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 PIK3C3 15/4885CYP3A4 1179/4885PIK3CA 7/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3C3 61/4885CYP3A4 741/4885PIK3CA 9/4885

“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.