SCHEMBL2679646

SCHEMBL2679646

CCOC(=O)C(F)=C1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CRHR1 P34998 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL2680160 0.88 DGAT1 (0.33) DGAT1
SCHEMBL584150 0.85 ESR2 (0.42) DGAT1KDM4EHSD17B10CRHR1ALDH1A1
SCHEMBL7881023 0.83 KDM4E (0.38) DGAT1KDM4EHSD17B10CRHR1ALDH1A1
SCHEMBL584319 0.82 DGAT1 (0.39) DGAT1KDM4EHSD17B10CRHR1ALDH1A1
SCHEMBL20682 0.82 PDE10A (0.34) CRHR1PDE10A
SCHEMBL595879 0.82 DGAT1 (0.36) DGAT1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10251309 0.82 DGAT1 (0.33) DGAT1KDM4EHSD17B10CRHR1ALDH1A1
SCHEMBL22064 0.81 PDE10A (0.34) CRHR1PDE10A
SCHEMBL10239399 0.80 DGAT1 (0.35) DGAT1KDM4EHSD17B10CRHR1ALDH1A1
SCHEMBL26892 0.80 L3MBTL1 (0.34) DGAT1KDM4EHSD17B10ALDH1A1HPGD

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 5 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
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 3031/4885KDM4E 1448/4885HSD17B10 3617/4885

“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.