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SCHEMBL589059

SCHEMBL589059

COC(=O)Cc1ccc(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 6/20 0.33
▸ FAAH O00519 4/20 0.32
▸ UTRN P46939 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ HSP90AA1 P07900 2/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ SMO Q99835 1/20 0.30
▸ RPS6KB2 Q9UBS0 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL587734 0.89 HCAR2 (0.33) HCAR2FAAHNPC1KDM4EALDH1A1
SCHEMBL2680295 0.87 PTGS2 (0.36) UTRN
SCHEMBL7874886 0.85 LTB4R (0.34) FAAHUTRNPPARGMAPTSMO
SCHEMBL588534 0.85 HPGD (0.31) NPC1KDM4EALDH1A1MAPK1PKM
SCHEMBL583530 0.82 NPC1 (0.31) NPC1KDM4EALDH1A1MAPK1RAB9A
SCHEMBL2680440 0.82 LMNA (0.33) HCAR2FAAHKDM4EPPARGMAPT
SCHEMBL7886861 0.81 LMNA (0.33) HCAR2FAAHKDM4EPPARGMAPT
SCHEMBL31339 0.81 KDM4E (0.33) UTRNNPC1KDM4EALDH1A1MAPT
SCHEMBL1083466 0.81 AKR1C3 (0.32) UTRNAKR1C3AKR1C2
SCHEMBL7879162 0.80 RAB9A (0.39) NPC1KDM4EALDH1A1MAPK1MAPT

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 HCAR2 2821/4885FAAH 4486/4885UTRN 2679/4885

“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.