SCHEMBL957103

SCHEMBL957103

CCOC(=O)c1sc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)nc1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.42
DBF4 Q9UBU7 9/20 0.42
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCD O00767 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PPARG P37231 1/20 0.36
CSNK1D P48730 1/20 0.36
MAOB P27338 1/20 0.36
DHODH Q02127 1/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL957485 0.92 SCD (0.40) CDC7DBF4MEN1KMT2ASCD
SCHEMBL953838 0.91 CDC7 (0.44) CDC7DBF4MEN1KMT2ASCD
SCHEMBL953207 0.90 CDC7 (0.52) CDC7DBF4MEN1HSP90AA1KMT2A
SCHEMBL953635 0.84 CDC7 (0.47) CDC7DBF4MEN1KMT2AALDH1A1
SCHEMBL951783 0.81 CDC7 (0.43) CDC7DBF4SCD
SCHEMBL952647 0.81 PLK1 (0.37) SCDPPARGFFAR1
SCHEMBL952279 0.80 PDE10A (0.32) MEN1KMT2ASCDLMNAFFAR1
SCHEMBL953256 0.80 CDC7 (0.44) CDC7DBF4MEN1KMT2ASCD
SCHEMBL953498 0.79 PLK1 (0.39) SCDFFAR1
SCHEMBL956857 0.79 TRPM8 (0.49) CDC7DBF4MEN1HSP90AA1KMT2A

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.