SCHEMBL7874465

SCHEMBL7874465

CCOC(=O)C(F)[C@H]1CC[C@@H](c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ncccn5)nc4)c3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
DGAT1 O75907 6/20 0.37
GPR119 Q8TDV5 5/20 0.33
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7875234 0.93 DGAT1 (0.42) HSD17B10KDM4EDGAT1GPR119ALDH1A1
SCHEMBL2680252 0.93 DGAT1 (0.34) HSD17B10KDM4EDGAT1ALDH1A1TSHR
SCHEMBL2680249 0.93 DGAT1 (0.34) HSD17B10KDM4EDGAT1ALDH1A1TSHR
SCHEMBL7874777 0.90 KDM4E (0.38) HSD17B10KDM4EDGAT1GPR119CHEK1
SCHEMBL10237375 0.86 DGAT1 (0.35) HSD17B10KDM4EDGAT1GPR119CHEK1
SCHEMBL2680067 0.86 DGAT1 (0.41) HSD17B10KDM4EDGAT1CHEK1ALDH1A1
SCHEMBL2680071 0.86 DGAT1 (0.41) HSD17B10KDM4EDGAT1CHEK1ALDH1A1
SCHEMBL10237460 0.85 KDM4E (0.38) HSD17B10KDM4EDGAT1GPR119CHEK1
SCHEMBL10237541 0.84 DGAT1 (0.40) HSD17B10KDM4EDGAT1GPR119CHEK1
SCHEMBL7884938 0.83 HSD17B10 (0.43) HSD17B10KDM4EDGAT1ALDH1A1TSHR

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 HSD17B10 3617/4885KDM4E 1448/4885DGAT1 3031/4885

“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.