SCHEMBL118693

SCHEMBL118693

O=C(O)c1nc2ccccn2c1CO[SiH3]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.57
PTGS2 P35354 3/20 0.57
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NTRK1 P04629 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
CSF1R P07333 1/20 0.40

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
SCHEMBL119057 0.82 PTGS1 (0.61) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL2505190 0.80 PTGS1 (0.62) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL6101487 0.78 PTGS1 (0.59) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL2219429 0.78 PTGS1 (0.59) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL16464824 0.77 PTGS1 (0.57) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL8707940 0.74 PTGS1 (0.68) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL28841197 0.74 PTGS1 (0.62) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL15558634 0.73 PTGS1 (0.66) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL1816550 0.73 KDM4E (0.68) PTGS1PTGS2ALDH1A1KDM4EGAA
SCHEMBL8352177 0.73 ALDH1A1 (0.68) PTGS1PTGS2ALDH1A1KDM4EGAA

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 2014/4885ALDH1A1 2155/4885

“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.