SCHEMBL954065

SCHEMBL954065

Cc1nn2ccccc2c1-c1nc(OCc2ccccc2)c(C(N)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.41
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
CDC7 O00311 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
VCP P55072 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 3/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
BCHE P06276 2/20 0.36
GSK3B P49841 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL951849 0.92 SMN1; SMN2 (0.40) PLK1ATP4AATP4BMEN1KMT2A
SCHEMBL953720 0.89 TRPM8 (0.40) ATP4AATP4BCDC7DBF4MEN1
SCHEMBL952001 0.89 CDC7 (0.37) PLK1CDC7CCNE1CDK2DBF4
SCHEMBL956509 0.85 CDC7 (0.35) PLK1CDC7CCNE1CDK2DBF4
SCHEMBL954278 0.85 CDC7 (0.36) PLK1ATP4AATP4BCDC7CCNE1
SCHEMBL955218 0.84 ALDH1A1 (0.40) CDC7CCNE1CDK2DBF4MEN1
SCHEMBL954881 0.82 SMN1; SMN2 (0.39) CDC7DBF4MEN1KMT2AVCP
SCHEMBL953256 0.80 CDC7 (0.44) PLK1CDC7CCNE1CDK2DBF4
SCHEMBL958143 0.79 LMNA (0.38) PLK1CDC7CCNE1CDK2DBF4
SCHEMBL952241 0.79 CDC7 (0.52) CDC7CCNE1CDK2DBF4MEN1

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 PLK1 558/4885ATP4A 3299/4885ATP4B 2568/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PLK1 1770/4885ATP4A 3254/4885ATP4B 3248/4885

“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.