SCHEMBL957562

SCHEMBL957562

CCOC(=O)c1sc(-c2ccnc(NC(C)=O)c2)nc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.71
DBF4 Q9UBU7 7/20 0.71
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 2/20 0.54
GSK3B P49841 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DHODH Q02127 5/20 0.53
MAPK14 Q16539 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
HPGD P15428 1/20 0.52
GSTO1 P78417 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51

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
SCHEMBL954140 0.88 CDC7 (0.69) CDC7DBF4MEN1KMT2ACYP1A2
SCHEMBL953320 0.87 MEN1 (0.65) CDC7DBF4MEN1KMT2ACYP1A2
SCHEMBL954260 0.86 CDC7 (0.60) CDC7DBF4ALDH1A1GSK3BMAPK14
SCHEMBL955917 0.85 CDC7 (0.69) CDC7DBF4MEN1KMT2AGSK3B
SCHEMBL623030 0.85 GSK3B (0.56) CDC7DBF4MEN1KMT2ACYP1A2
SCHEMBL954063 0.85 GSK3B (0.66) CDC7DBF4GSK3BMAPK14
SCHEMBL953055 0.84 CDC7 (0.61) CDC7DBF4ALDH1A1GSK3BMAPK14
SCHEMBL957220 0.83 CDC7 (0.77) CDC7DBF4MEN1KMT2ACYP1A2
SCHEMBL4503056 0.81 CDC7 (0.88) CDC7DBF4MEN1KMT2ACYP1A2
SCHEMBL623323 0.81 GSK3B (0.49) CDC7DBF4GSK3BDHODHMAPK14

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 3288/4885MEN1 794/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885MEN1 1649/4885

“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.