SCHEMBL957220

SCHEMBL957220

CCOC(=O)c1sc(-c2ccnc(Cl)c2)nc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.77
DBF4 Q9UBU7 10/20 0.77
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 1/20 0.58
DHODH Q02127 5/20 0.56
TRPM8 Q7Z2W7 2/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL4503056 0.85 CDC7 (0.88) CDC7DBF4ALDH1A1HSD17B10DHODH
SCHEMBL953385 0.84 CDC7 (1.00) CDC7DBF4ALDH1A1HSD17B10TRPM8
SCHEMBL952531 0.84 CDC7 (0.67) CDC7DBF4ALDH1A1HPGDMEN1
SCHEMBL957562 0.83 CDC7 (0.71) CDC7DBF4ALDH1A1HSD17B10DHODH
SCHEMBL954078 0.82 CDC7 (0.68) CDC7DBF4ALDH1A1HPGDCYP1A2
SCHEMBL16037743 0.80 LMNA (0.74) CDC7DBF4ALDH1A1HSD17B10DHODH
SCHEMBL623514 0.79 PTPN11 (0.59) CDC7DBF4TRPM8
SCHEMBL3893108 0.79 ALDH1A1 (0.71) CDC7DBF4ALDH1A1HSD17B10DHODH
SCHEMBL16039074 0.78 CDC7 (0.76) CDC7DBF4ALDH1A1HSD17B10DHODH
SCHEMBL16037691 0.77 CDC7 (0.71) CDC7DBF4ALDH1A1HSD17B10DHODH

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 3288/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885ALDH1A1 728/4885

“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.