SCHEMBL117350

SCHEMBL117350

Cc1c(N2CC[C@@H](O)C2)ccc2nc(C(=O)O)cn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.37
PRKAG1 P54619 3/20 0.37
PRKAA2 P54646 3/20 0.37
PRKAA1 Q13131 3/20 0.37
PRKAG3 Q9UGI9 3/20 0.37
PRKAG2 Q9UGJ0 3/20 0.37
PRKAB1 Q9Y478 3/20 0.37
PRKDC P78527 1/20 0.35
RAD52 P43351 1/20 0.34
CFTR P13569 1/20 0.34
PTGER4 P35408 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FGFR1 P11362 1/20 0.33
SMPD3 Q9NY59 2/20 0.33
RBP4 P02753 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL117351 1.00 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL119331 0.85 GAA (0.50) KDM4E
SCHEMBL119330 0.85 GAA (0.50) KDM4E
SCHEMBL3719040 0.78 PTGS1 (0.40) PRKDCCFTRKDM4ENPSR1PTGS1
SCHEMBL3719037 0.78 PTGS1 (0.40) PRKDCCFTRKDM4ENPSR1PTGS1
SCHEMBL27680972 0.69 RBP4 (0.54) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL3340526 0.69 PTGS1 (0.41) KDM4EPTGS1PTGS2
SCHEMBL3369735 0.69 PTGS1 (0.41) KDM4EPTGS1PTGS2
SCHEMBL2086528 0.69 PTGS1 (0.41) KDM4EPTGS1PTGS2
SCHEMBL14655202 0.68 NPC1 (0.52) CFTRPTGER4KDM4EFGFR1SMPD3

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 PRKAB2 2570/4885PRKAG1 2319/4885PRKAA2 1939/4885

“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.