SCHEMBL952767

SCHEMBL952767

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.54
DBF4 Q9UBU7 6/20 0.54
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 2/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
MAPT P10636 1/20 0.35
FEN1 P39748 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
SCHEMBL953158 0.91 CDC7 (0.56) CDC7DBF4CCNE1CDK2KDR
SCHEMBL955273 0.85 CDC7 (0.61) CDC7DBF4KDM4EKMT2ARARA
SCHEMBL974859 0.74 CDC7 (0.84) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL953183 0.73 CDC7 (0.34) CDC7DBF4PTGS2KDM4EKMT2A
SCHEMBL955682 0.73 AURKB (0.56) CDC7DBF4KDR
SCHEMBL16039727 0.71 KDM4E (0.68) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL16113884 0.71 CDC7 (1.00) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL952531 0.70 CDC7 (0.67) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL4286484 0.68 CDC7 (0.60) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL15716809 0.68 CDC7 (0.63) CDC7DBF4CCNE1CDK2SMN1; 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 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.