SCHEMBL587273

SCHEMBL587273

CCOC(=O)CC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnn(C)c4)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.42
DGAT1 O75907 4/20 0.39
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL583959 0.90 DGAT1 (0.42) CHEK1DGAT1CCNA2CDK2CCNA1
SCHEMBL2680051 0.88 DGAT1 (0.41) CHEK1DGAT1KDM4EHSD17B10L3MBTL1
SCHEMBL1073117 0.88 DGAT1 (0.41) CHEK1DGAT1KDM4EHSD17B10L3MBTL1
SCHEMBL1024356 0.87 DGAT1 (0.52) DGAT1KDM4EHSD17B10L3MBTL1
SCHEMBL583829 0.86 KDM4E (0.39) DGAT1KDM4EHSD17B10
SCHEMBL595034 0.86 DGAT1 (0.41) CHEK1DGAT1KDM4EHSD17B10L3MBTL1
SCHEMBL10237694 0.85 CHEK1 (0.44) CHEK1DGAT1CCNA2CDK2CCNA1
SCHEMBL601028 0.84 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1
SCHEMBL584319 0.81 DGAT1 (0.39) DGAT1KDM4EHSD17B10L3MBTL1
SCHEMBL2679981 0.81 GPR119 (0.41) CHEK1CCNA2CDK2CCNA1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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 (1 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 461/4885DGAT1 3031/4885CCNA2 2476/4885

“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.