SCHEMBL953158

SCHEMBL953158

NC(=O)c1sc(-c2ccnc3ccsc23)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 13/20 0.56
DBF4 Q9UBU7 13/20 0.56
CCNE1 P24864 6/20 0.56
CDK2 P24941 6/20 0.56
BCAT2 O15382 1/20 0.43
CCNT1 O60563 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
CDK9 P50750 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
KDR P35968 1/20 0.36
ADORA2B P29275 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
BTK Q06187 1/20 0.36
TGFBR1 P36897 1/20 0.35

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
SCHEMBL952767 0.91 CDC7 (0.54) CDC7DBF4CCNE1CDK2KDR
SCHEMBL955273 0.83 CDC7 (0.61) CDC7DBF4CYP1A2CYP2C19MEN1
SCHEMBL4740819 0.76 CDC7 (0.85) CDC7DBF4CCNE1CDK2LMNA
SCHEMBL953404 0.74 CDC7 (0.55) CDC7DBF4CCNE1CDK2CSNK1A1
SCHEMBL15064348 0.72 CDC7 (0.62) CDC7DBF4CCNE1CDK2ADORA2B
SCHEMBL953183 0.72 CDC7 (0.34) CDC7DBF4CYP1A2CYP3A4CYP2C19
SCHEMBL954078 0.71 CDC7 (0.68) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL31060251 0.68 ADORA2B (0.54) CDC7DBF4CCNE1CDK2BCAT2
SCHEMBL953055 0.67 CDC7 (0.61) CDC7DBF4CCNE1CDK2
SCHEMBL956697 0.67 CDC7 (0.61) CDC7DBF4CCNE1CDK2CYP1A2

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 6 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-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP 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
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 3288/4885CCNE1 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.