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SCHEMBL1015651

SCHEMBL1015651

CN(C)/C=C/C(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.42
▸ HSD11B1 P28845 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ NR1H2 P55055 9/20 0.38
▸ NR1H3 Q13133 8/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ F13A1 P00488 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ TGM1 P22735 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ RET P07949 1/20 0.34

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
SCHEMBL1015650 1.00 GPR119 (0.42) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL1015653 1.00 GPR119 (0.42) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL1017414 0.90 GPR119 (0.42) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL1017413 0.90 GPR119 (0.42) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL1017415 0.90 GPR119 (0.42) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL1016375 0.89 GAA (0.44) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL3496752 0.89 GAA (0.44) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL1015285 0.89 GAA (0.44) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL3496751 0.89 GAA (0.44) GPR119HSD11B1PARP1NR1H2NR1H3
SCHEMBL1017554 0.87 MAPT (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 — — EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 — — US disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 — — US disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 — — US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 — — 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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF GPR119 2939/4885HSD11B1 2299/4885PARP1 1664/4885

“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.