SCHEMBL2545115

SCHEMBL2545115

CC(C)C(C)(C)OP(=O)(O)c1cccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(F)cc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 10/20 0.47
PRKAB1 Q9Y478 10/20 0.47
PRKAA2 P54646 8/20 0.47
PRKAA1 Q13131 5/20 0.45
PRKAB2 O43741 1/20 0.44
TFDP2 Q14188 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
HDAC6 Q9UBN7 1/20 0.32
PTPN5 P54829 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
MYC P01106 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL2545347 0.85 PRKAG1 (0.56) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL2545110 0.83 PRKAG1 (0.49) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL2544583 0.78 PRKAB1 (0.78) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL2544654 0.75 PRKAG1 (0.47) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL2547736 0.75 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL2544477 0.74 PRKAG1 (0.55) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL12241666 0.74 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL2549445 0.74 PRKAG1 (0.41) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL9909905 0.72 PRKAG1 (0.60) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481283 0.72 PRKAG1 (0.79) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US 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-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKAG1 2/4885PRKAB1 5/4885PRKAA2 12/4885

“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.