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SCHEMBL583745

SCHEMBL583745

COC(=O)c1ccc(Oc2cc(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 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TTK P33981 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A3 P47895 2/20 0.35
▸ ALDH1A2 O94788 1/20 0.35
▸ SGK1 O00141 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 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
SCHEMBL2679643 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GLAHPGDNPSR1
SCHEMBL599621 0.85 DGAT1 (0.39) DGAT1ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL585048 0.82 ALDH1A1 (0.38) DGAT1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL7881088 0.81 ALDH1A1 (0.38) DGAT1ALDH1A1GAASMN1; SMN2GLA
SCHEMBL2679962 0.81 DGAT1 (0.38) DGAT1ALDH1A1SMN1; SMN2HPGDTTK
SCHEMBL588542 0.80 DGAT1 (0.39) DGAT1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL10328346 0.80 DGAT1 (0.39) DGAT1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL600086 0.80 DGAT1 (0.40) DGAT1ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL600087 0.80 DGAT1 (0.35) DGAT1ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL10238800 0.79 DGAT1 (0.37) DGAT1ALDH1A1HPGDTTKMAPT

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 7 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
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO 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 3031/4885ALDH1A1 3479/4885GAA 1529/4885

“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.