SCHEMBL594353

SCHEMBL594353

COC(=O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.37
ALDH1A1 P00352 2/20 0.35
ALDH1A3 P47895 2/20 0.35
ALDH1A2 O94788 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TGFBR1 P36897 1/20 0.33
POLB P06746 1/20 0.33
KDM5A P29375 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SGK1 O00141 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL7881088 0.89 ALDH1A1 (0.38) DGAT1ALDH1A1ALDH1A3ALDH1A2MEN1
SCHEMBL2679962 0.89 DGAT1 (0.38) DGAT1ALDH1A1ALDH1A3ALDH1A2MEN1
SCHEMBL10237157 0.87 DGAT1 (0.37) DGAT1ALDH1A1ALDH1A3ALDH1A2MEN1
SCHEMBL600388 0.86 DGAT1 (0.35) DGAT1ALDH1A1ALDH1A3ALDH1A2MAPT
SCHEMBL600387 0.85 DGAT1 (0.39) DGAT1ALDH1A1ALDH1A3ALDH1A2POLB
SCHEMBL599621 0.83 DGAT1 (0.39) DGAT1ALDH1A1ALDH1A3ALDH1A2MAPT
SCHEMBL2680134 0.82 ALDH1A1 (0.41) ALDH1A1ALDH1A3ALDH1A2MEN1KMT2A
SCHEMBL600087 0.79 DGAT1 (0.35) DGAT1ALDH1A1ALDH1A3ALDH1A2MAPT
SCHEMBL583745 0.79 DGAT1 (0.40) DGAT1ALDH1A1ALDH1A3ALDH1A2MAPT
SCHEMBL2679643 0.79 ALDH1A1 (0.44) ALDH1A1ALDH1A3ALDH1A2MAPTSMN1; SMN2

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 5 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
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

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 3479/4885ALDH1A3 4358/4885

“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.