SCHEMBL2680922

SCHEMBL2680922

CC(=O)OC(C(=O)O)[C@H]1CC[C@H](c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.40
MTOR P42345 3/20 0.36
RPTOR Q8N122 3/20 0.36
MLST8 Q9BVC4 3/20 0.36
CHEK1 O14757 3/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31

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
SCHEMBL2680917 1.00 DGAT1 (0.40) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL10237541 0.93 DGAT1 (0.40) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2680067 0.90 DGAT1 (0.41) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2680071 0.90 DGAT1 (0.41) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2723620 0.88 DGAT1 (0.43) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2679691 0.87 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2679692 0.87 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL7881065 0.87 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL7875234 0.86 DGAT1 (0.42) DGAT1MTORRPTORMLST8HSD17B10
SCHEMBL7883028 0.86 DGAT1 (0.41) DGAT1MTORRPTORMLST8CHEK1

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 2 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

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 3031/4885MTOR 1/4885RPTOR 3/4885

“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.