Sugi Predict

Sugi Predict / Compounds / SCHEMBL593245

SCHEMBL593245

SCHEMBL593245

COC(=O)c1ccc(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CRHR1 P34998 6/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PKM P14618 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
SCHEMBL596485 0.90 LMNA (0.39) ALDH1A1LMNANPSR1TSHRKDM4E
SCHEMBL590214 0.87 CRHR1 (0.34) ALDH1A1LMNAKDM4ECYP3A4MAPK1
SCHEMBL2679432 0.85 CCNE1 (0.40) ALDH1A1KDM4EGAASMN1; SMN2RAB9A
SCHEMBL585048 0.84 ALDH1A1 (0.38) ALDH1A1LMNANPSR1TSHRKDM4E
SCHEMBL596486 0.83 ALDH1A1 (0.37) ALDH1A1LMNANPSR1TSHRKDM4E
SCHEMBL585078 0.83 CRHR1 (0.34) CRHR1
SCHEMBL30183 0.76 CRHR1 (0.33) KMT2ACRHR1MEN1
SCHEMBL30278 0.73 PDE10A (0.46) CRHR1
SCHEMBL1072955 0.73 DGAT1 (0.37) L3MBTL1CRHR1
SCHEMBL7883324 0.73 DGAT1 (0.37) L3MBTL1CRHR1

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 3479/4885LMNA 3708/4885NPSR1 4243/4885

“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.