SCHEMBL1440980

SCHEMBL1440980

CC1(C)OB(c2ccc(-c3nccn3COCC[Si](C)(C)C)cc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.40
LIPG Q9Y5X9 12/20 0.40
DGAT1 O75907 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SNCA P37840 1/20 0.33
F11 P03951 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
SCHEMBL14811903 0.88 LIPG (0.36) LPLLIPGDGAT1
SCHEMBL14245473 0.87 DGAT1 (0.43) LPLLIPGDGAT1CA1CA2
SCHEMBL28632652 0.84 EGFR (0.34) DGAT1SNCA
SCHEMBL26693613 0.82 DGAT1 (0.31) DGAT1
SCHEMBL22967310 0.81 DGAT1 (0.43) LPLLIPGDGAT1CA1CA2
SCHEMBL7843607 0.80 ESR1 (0.47) DGAT1
SCHEMBL30051335 0.79 LPL (0.40) LPLLIPGDGAT1CA1CA2
SCHEMBL10276614 0.79 LPL (0.40) LPLLIPGDGAT1CA1CA2
SCHEMBL2153326 0.79 DGAT1 (0.40) DGAT1
SCHEMBL1441203 0.79 DGAT1 (0.46) DGAT1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795607-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-24 US disclosed
EP-3202403-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2017-08-09 EP disclosed
EP-2945636-B1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-06-28 EP disclosed
US-20160324861-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICAL LLC (US) 2016-11-10 US disclosed
US-9428509-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-30 US disclosed
US-9346812-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-05-24 US disclosed
EP-2945636-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2015-11-25 EP disclosed
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
WO-2014113429-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2014-07-24 WO disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 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 (2 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 LPL 4868/4885LIPG 4794/4885DGAT1 4722/4885
US-20160324861-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BRCA1, DPYD, TYMP LPL 1755/4885LIPG 4044/4885DGAT1 3996/4885

“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.