SCHEMBL119057

SCHEMBL119057

CCOC(=O)c1nc2ccccn2c1CO[SiH3]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
MAPK1 P28482 2/20 0.59
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NTRK1 P04629 1/20 0.54
GAA P10253 5/20 0.49
PDE4A P27815 1/20 0.47
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 5/20 0.47
TSHR P16473 2/20 0.47
RXFP1 Q9HBX9 3/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL118913 0.85 PTGS1 (0.65) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL2217253 0.85 PTGS1 (0.59) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL12441268 0.84 PTGS1 (0.64) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL3082062 0.84 PTGS1 (0.64) PTGS1PTGS2MAPK1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2218615 0.83 PTGS1 (0.62) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL118693 0.82 PTGS1 (0.57) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL872190 0.82 PTGS1 (0.68) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL2219061 0.81 PTGS1 (0.60) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL23387882 0.80 PTGS1 (0.65) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL117699 0.80 PTGS1 (0.65) PTGS1PTGS2MAPK1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP PTGS1 1301/4885PTGS2 2014/4885MAPK1 2345/4885

“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.