SCHEMBL119331

SCHEMBL119331

CCOC(=O)c1cn2c(C)c(N3CCC(O)C3)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KDM4E B2RXH2 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.41
GABRA2 P47869 5/20 0.39
GABRB2 P47870 5/20 0.39
PDE5A O76074 1/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL119330 1.00 GAA (0.50) GAAKDM4ERAB9ANPC1RXFP1
SCHEMBL117350 0.85 PRKAB2 (0.37) KDM4E
SCHEMBL117351 0.85 PRKAB2 (0.37) KDM4E
SCHEMBL21354875 0.76 GAA (0.61) GAAKDM4ERAB9ANPC1RXFP1
SCHEMBL117177 0.73 GAA (0.63) GAAKDM4ERAB9ANPC1RXFP1
SCHEMBL21356112 0.73 GAA (0.63) GAAKDM4ERAB9ANPC1RXFP1
SCHEMBL3545664 0.73 GAA (0.63) GAAKDM4ERAB9ANPC1RXFP1
SCHEMBL2770990 0.71 HCRTR1 (0.46) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL28710578 0.71 HCRTR1 (0.46) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL3542064 0.71 GAA (0.60) GAAKDM4ERAB9ANPC1RXFP1

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 GAA 30/4885KDM4E 2967/4885RAB9A 2165/4885

“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.