SCHEMBL7878591

SCHEMBL7878591

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.39
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
TTK P33981 8/20 0.37
MTOR P42345 2/20 0.35
RPTOR Q8N122 2/20 0.35
MLST8 Q9BVC4 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7874327 0.93 DGAT1 (0.41) DGAT1CKS1BSKP1SKP2TTK
SCHEMBL10277566 0.90 DGAT1 (0.39) DGAT1MTORRPTORMLST8JAK1
SCHEMBL6889988 0.90 DGAT1 (0.39) DGAT1MTORRPTORMLST8JAK1
SCHEMBL10237617 0.88 DGAT1 (0.38) DGAT1CKS1BSKP1SKP2TTK
SCHEMBL31025 0.88 HPGDS (0.40) DGAT1MTORRPTORMLST8
SCHEMBL2705740 0.87 DGAT1 (0.41) DGAT1MTORRPTORMLST8JAK1
SCHEMBL10237593 0.86 DGAT1 (0.40) DGAT1CKS1BSKP1SKP2TTK
SCHEMBL7878601 0.86 DGAT1 (0.40) DGAT1CKS1BSKP1SKP2TTK
SCHEMBL2679956 0.86 DGAT1 (0.42) DGAT1MTORRPTORMLST8JAK1
SCHEMBL17399398 0.86 MTOR (0.45) DGAT1MTORRPTORMLST8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US 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 DGAT1 3031/4885CKS1B 504/4885SKP1 1474/4885

“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.