Sugi Predict

Sugi Predict / Compounds / SCHEMBL6842848

SCHEMBL6842848

SCHEMBL6842848

CC(=O)Nc1cc(-c2nc(-c3cc(CO)ccc3Cl)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 7/20 0.39
▸ MAPK14 Q16539 5/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ GSK3B P49841 3/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ RORC P51449 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL16938036 0.93 MAPK14 (0.42) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842830 0.90 PIK3C3 (0.42) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL16938031 0.89 MAPK14 (0.43) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842845 0.88 MAPK14 (0.43) PIK3C3MAPK14GSK3BMAPK1
SCHEMBL6842866 0.87 PIK3C3 (0.42) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6845046 0.87 PIK3C3 (0.39) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL954402 0.84 CDC7 (0.43) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842818 0.84 MAPK14 (0.43) PIK3C3MAPK14ABL1GSK3BCDC7
SCHEMBL13257592 0.83 CDC7 (0.38) PIK3C3MAPK14CDC7DBF4
SCHEMBL16938028 0.83 MAPK14 (0.46) PIK3C3MAPK14ABL1GSK3B

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 15/4885MAPK14 102/4885ABL1 168/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3C3 61/4885MAPK14 899/4885ABL1 196/4885

“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.