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SCHEMBL588796

SCHEMBL588796

COC(=O)c1ccc(-c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.36
▸ HPGD P15428 8/20 0.36
▸ HSD17B10 Q99714 6/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 8/20 0.35
▸ POLB P06746 3/20 0.35
▸ PSD A5PKW4 1/20 0.35
▸ ALDH1A3 P47895 2/20 0.34
▸ ALDH1A2 O94788 1/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ GLA P06280 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL585048 0.86 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1KDM4ERAB9A
SCHEMBL2679432 0.83 CCNE1 (0.40) ALDH1A1HPGDHSD17B10CASP1KDM4E
SCHEMBL14299090 0.76 CRHR1 (0.35) MAPK1LMNA
SCHEMBL10236649 0.76 DGAT1 (0.36) ALDH1A1HPGDHSD17B10TSHRL3MBTL1
SCHEMBL595459 0.76 DGAT1 (0.36) ALDH1A1HPGDHSD17B10TSHRL3MBTL1
SCHEMBL583530 0.76 NPC1 (0.31) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL30034 0.75 — —
SCHEMBL10236615 0.75 DGAT1 (0.32) ALDH1A1HSD17B10TSHRKDM4EGAA
SCHEMBL583964 0.74 LMNA (0.33) ALDH1A1NPC1RAB9ALMNA
SCHEMBL2705731 0.73 HSD17B10 (0.36) ALDH1A1HPGDHSD17B10TSHRKDM4E

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 ALDH1A1 3479/4885HPGD 2087/4885HSD17B10 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.