SCHEMBL10239397

SCHEMBL10239397

[2H]C(C(=O)OCC)C1([2H])CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(C)c3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DGAT1 O75907 2/20 0.34

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
SCHEMBL10328253 0.92 KDM4E (0.37) KDM4EHSD17B10DGAT1
SCHEMBL10239399 0.87 DGAT1 (0.35) KDM4EHSD17B10DGAT1
SCHEMBL10239403 0.86 DGAT1 (0.37) KDM4EHSD17B10DGAT1
SCHEMBL10239398 0.85 PIK3CA (0.35) KDM4EHSD17B10DGAT1
SCHEMBL583829 0.80 KDM4E (0.39) KDM4EHSD17B10DGAT1
SCHEMBL10236983 0.80 DGAT1 (0.38) KDM4EHSD17B10DGAT1
SCHEMBL587273 0.76 CHEK1 (0.42) KDM4EHSD17B10DGAT1
SCHEMBL7884938 0.76 HSD17B10 (0.43) KDM4EHSD17B10DGAT1
SCHEMBL21494 0.75 KDM4E (0.35) KDM4EHSD17B10DGAT1
SCHEMBL1073117 0.75 DGAT1 (0.41) KDM4EHSD17B10DGAT1

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 1 patent. 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

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.