SCHEMBL954001

SCHEMBL954001

CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(C(=O)NCCO)s2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
GSK3B P49841 8/20 0.43
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
MAPK14 Q16539 4/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL6845077 0.91 CDC7 (0.47) CDC7DBF4GSK3BBCHEACHE
SCHEMBL6845087 0.88 CDC7 (0.45) CDC7DBF4GSK3BBCHEACHE
SCHEMBL956050 0.86 CDC7 (0.49) CDC7DBF4GSK3BBCHEACHE
SCHEMBL955784 0.84 KDM4E (0.52) CDC7DBF4GSK3BMAPK14JAK2
SCHEMBL954140 0.83 CDC7 (0.69) CDC7DBF4GSK3BBCHEACHE
SCHEMBL953980 0.81 PIK3C3 (0.46) CDC7DBF4GSK3BMAPK14JAK2
SCHEMBL6842866 0.76 PIK3C3 (0.42) CDC7DBF4GSK3BMAPK14JAK2
SCHEMBL16938266 0.75 JAK2 (0.41) CDC7DBF4GSK3BMAPK14JAK2
SCHEMBL12947669 0.74 CDC7 (0.45) CDC7DBF4GSK3BMAPK14PIK3C3
SCHEMBL954260 0.73 CDC7 (0.60) CDC7DBF4GSK3BMAPK14SMN1; SMN2

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 9 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
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 CDC7 601/4885DBF4 3288/4885GSK3B 62/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885GSK3B 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.