SCHEMBL583512

SCHEMBL583512

CC1(C)OB(c2cnc3ccsc3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.40
LIPG Q9Y5X9 7/20 0.40
ALPL P05186 1/20 0.37
DGAT1 O75907 2/20 0.36
SNCA P37840 1/20 0.36
PDGFRB P09619 3/20 0.36
KDR P35968 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ABCB1 P08183 1/20 0.32
FFAR1 O14842 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
SCHEMBL138769 0.77 SNCA (0.42) LPLLIPGSNCA
SCHEMBL451444 0.76 LPL (0.40) LPLLIPGALPLDGAT1SNCA
SCHEMBL2679491 0.76 SNCA (0.39) LPLLIPGALPLDGAT1SNCA
SCHEMBL14727556 0.73 LPL (0.46) LPLLIPGSNCA
SCHEMBL167417 0.72 ALPL (0.57) LPLLIPGALPLDGAT1PDGFRB
SCHEMBL30620315 0.71 LPL (0.47) LPLLIPGSNCA
SCHEMBL451893 0.71 LPL (0.47) LPLLIPGSNCA
SCHEMBL1269740 0.71 LPL (0.39) LPLLIPGALPLDGAT1SNCA
SCHEMBL15579103 0.71 AAK1 (0.36) LPLLIPGALPLDGAT1SNCA
SCHEMBL30198644 0.71 ALPL (0.42) LPLLIPGALPLDGAT1PDGFRB

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 3698/4885ALPL 4804/4885

“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.