SCHEMBL169466

SCHEMBL169466

NCc1c(C(N)=O)nc2ccccn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.54
PTGS1 P23219 3/20 0.54
ALDH1A1 P00352 4/20 0.52
GAA P10253 3/20 0.52
DPP4 P27487 2/20 0.51
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 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
SCHEMBL31008778 0.86 ALDH1A1 (0.55) PTGS2PTGS1ALDH1A1GAADPP4
SCHEMBL23644542 0.83 PTGS1 (0.54) PTGS2PTGS1ALDH1A1GAAKDM4E
SCHEMBL31040067 0.83 ALDH1A1 (0.52) PTGS2PTGS1ALDH1A1GAAKDM4E
SCHEMBL3088470 0.82 KDM4E (0.66) PTGS2PTGS1ALDH1A1GAADPP4
SCHEMBL3082062 0.80 PTGS1 (0.64) PTGS2PTGS1ALDH1A1GAADPP4
SCHEMBL13732765 0.79 ALDH1A1 (0.66) PTGS2PTGS1ALDH1A1GAAKDM4E
SCHEMBL15924279 0.79 ALDH1A1 (0.70) PTGS2PTGS1ALDH1A1GAAKDM4E
SCHEMBL1684145 0.76 PTGS1 (0.53) PTGS2PTGS1ALDH1A1GAAKDM4E
SCHEMBL20989892 0.76 PTGS1 (0.56) PTGS2PTGS1ALDH1A1GAAKDM4E
SCHEMBL16403322 0.75 PTGS1 (0.51) PTGS2PTGS1ALDH1A1GAAKDM4E

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 PTGS2 2014/4885PTGS1 1301/4885ALDH1A1 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.