SCHEMBL954414

SCHEMBL954414

Cc1nn2ccsc2c1-c1nc(-c2ccccc2)c(C(N)=S)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.37
DBF4 Q9UBU7 6/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
SMN1; SMN2 Q16637 7/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 5/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
TP53 P04637 3/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL952078 0.89 CDC7 (0.50) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL954223 0.87 CDC7 (0.48) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL955757 0.86 SMN1; SMN2 (0.41) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL958333 0.82 CDC7 (0.57) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL954631 0.80 TRPM8 (0.40) CDC7DBF4CCNE1CDK2SMN1; SMN2
SCHEMBL952540 0.78 CDC7 (0.48) CDC7DBF4SMN1; SMN2ALDH1A1MAPT
SCHEMBL958297 0.77 PDPK1 (0.39) CDC7DBF4SMN1; SMN2ALDH1A1MAPT
SCHEMBL954471 0.77 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPTGAANPC1
SCHEMBL13257022 0.76 KDM4E (0.55) CDC7DBF4CDK2SMN1; SMN2ALDH1A1
SCHEMBL953903 0.75 PTGS2 (0.37) CDC7DBF4CCNE1CDK2MAPT

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.