SCHEMBL7874777

SCHEMBL7874777

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
DGAT1 O75907 5/20 0.38
GPR119 Q8TDV5 6/20 0.36
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PIK3CA P42336 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL2680324 0.92 HSD17B10 (0.35) KDM4EHSD17B10DGAT1GPR119MAPT
SCHEMBL2680325 0.92 HSD17B10 (0.35) KDM4EHSD17B10DGAT1GPR119MAPT
SCHEMBL7875234 0.91 DGAT1 (0.42) KDM4EHSD17B10DGAT1GPR119MAPT
SCHEMBL7874465 0.90 HSD17B10 (0.37) KDM4EHSD17B10DGAT1GPR119LMNA
SCHEMBL1073117 0.89 DGAT1 (0.41) KDM4EHSD17B10DGAT1GPR119MAPT
SCHEMBL16104578 0.86 GPR119 (0.35) KDM4EHSD17B10DGAT1GPR119MAPT
SCHEMBL10239403 0.86 DGAT1 (0.37) KDM4EHSD17B10DGAT1GPR119MAPT
SCHEMBL10277523 0.86 DGAT1 (0.37) KDM4EHSD17B10DGAT1GPR119MAPT
SCHEMBL10237460 0.85 KDM4E (0.38) KDM4EHSD17B10DGAT1GPR119MAPT
SCHEMBL2680193 0.85 DGAT1 (0.40) KDM4EHSD17B10DGAT1GPR119MAPT

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 KDM4E 1448/4885HSD17B10 3617/4885DGAT1 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.