SCHEMBL953320

SCHEMBL953320

CCOC(=O)c1sc(-c2cc(C)nc(NC(C)=O)c2)nc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
CDC7 O00311 4/20 0.62
DBF4 Q9UBU7 4/20 0.62
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 1/20 0.55
DHODH Q02127 9/20 0.53
TRPM8 Q7Z2W7 2/20 0.53
HPGD P15428 1/20 0.53
GSTO1 P78417 1/20 0.53
KDM4E B2RXH2 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL952317 0.87 CDC7 (0.53) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL957562 0.87 CDC7 (0.71) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL955820 0.85 CDC7 (0.55) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4503056 0.82 CDC7 (0.88) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL15064976 0.79 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL953385 0.77 CDC7 (1.00) CDC7DBF4ALDH1A1HSD17B10TRPM8
SCHEMBL16039074 0.76 CDC7 (0.76) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL954140 0.75 CDC7 (0.69) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL952275 0.74 CDC7 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL957220 0.74 CDC7 (0.77) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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 MEN1 794/4885KMT2A 2441/4885CYP1A2 1643/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MEN1 1649/4885KMT2A 2459/4885CYP1A2 224/4885

“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.