SCHEMBL583950

SCHEMBL583950

Cc1cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2o1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.35
LIPG Q9Y5X9 9/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PDGFRB P09619 3/20 0.34
KDR P35968 3/20 0.34
AAK1 Q2M2I8 1/20 0.34
ALPL P05186 1/20 0.33
FFAR1 O14842 1/20 0.33
DGAT1 O75907 2/20 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
SCHEMBL30889657 0.77 ALPL (0.35) LPLLIPGIRAK4GSK3AGSK3B
SCHEMBL18317561 0.76 GSK3A (0.39) LIPGGSK3AGSK3BPDGFRBKDR
SCHEMBL584307 0.75 LPL (0.40) LPLLIPGIRAK4GSK3AGSK3B
SCHEMBL18317562 0.74 PDGFRB (0.38) LPLLIPGGSK3AGSK3BPDGFRB
SCHEMBL22337673 0.74 GSK3A (0.39) LPLLIPGIRAK4GSK3AGSK3B
SCHEMBL31394795 0.74 GSK3A (0.39) LPLLIPGIRAK4GSK3AGSK3B
SCHEMBL1181289 0.71 LPL (0.38) LPLLIPGIRAK4GSK3AGSK3B
SCHEMBL30551407 0.71 LPL (0.38) LPLLIPGIRAK4GSK3AGSK3B
SCHEMBL16426148 0.71 LPL (0.43) LPLLIPGIRAK4
SCHEMBL14926830 0.71 ALPL (0.42) LPLLIPGIRAK4PDGFRBKDR

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 6 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

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 LPL 3889/4885LIPG 3698/4885IRAK4 931/4885

“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.