Sugi Predict

Sugi Predict / Compounds / SCHEMBL6842867

SCHEMBL6842867

SCHEMBL6842867

CC(=O)Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)c(-c3nnc[nH]3)s2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 4/20 0.42
▸ DBF4 Q9UBU7 4/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ PIK3C3 Q8NEB9 8/20 0.41
▸ MAPK14 Q16539 3/20 0.40
▸ CNR1 P21554 3/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL16938040 0.93 MAPK14 (0.43) CDC7DBF4CCNE1CDK2PIK3C3
SCHEMBL954402 0.89 CDC7 (0.43) CDC7DBF4CCNE1CDK2PIK3C3
SCHEMBL13256690 0.88 CDC7 (0.43) CDC7DBF4CCNE1CDK2PIK3C3
SCHEMBL955048 0.87 PIK3C3 (0.42) CDC7DBF4CCNE1CDK2PIK3C3
SCHEMBL6845076 0.85 PIK3C3 (0.42) CDC7DBF4CCNE1CDK2PIK3C3
SCHEMBL3788305 0.85 CDC7 (0.40) CDC7DBF4CCNE1CDK2PIK3C3
SCHEMBL958242 0.84 CDC7 (0.39) CDC7DBF4CCNE1CDK2PIK3C3
SCHEMBL6842878 0.84 MAPK14 (0.49) CDC7DBF4PIK3C3MAPK14GSK3B
SCHEMBL953124 0.83 MAPK14 (0.47) PIK3C3MAPK14CSNK1A1CSNK1D
SCHEMBL13256974 0.82 PIK3C3 (0.41) CDC7DBF4PIK3C3MAPK14TGFBR1

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 CDC7 601/4885DBF4 3288/4885CCNE1 1329/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885CCNE1 64/4885

“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.