SCHEMBL12133448

SCHEMBL12133448

CC(=O)c1nccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c(-c3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.48
HDAC1 Q13547 1/20 0.45
GRM2 Q14416 1/20 0.45
AKT1 P31749 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ACACB O00763 3/20 0.40
ACACA Q13085 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12802969 0.94 NAMPT (0.48) NAMPTHDAC1GRM2AKT1L3MBTL1
SCHEMBL12597695 0.92 NAMPT (0.49) NAMPTHDAC1GRM2AKT1L3MBTL1
SCHEMBL12133253 0.91 NAMPT (0.50) NAMPTHDAC1GRM2AKT1L3MBTL1
SCHEMBL12133342 0.89 NAMPT (0.49) NAMPTHDAC1GRM2AKT1L3MBTL1
SCHEMBL12132990 0.89 NAMPT (0.49) NAMPTHDAC1GRM2AKT1L3MBTL1
SCHEMBL2281584 0.89 NAMPT (0.49) NAMPTHDAC1GRM2AKT1L3MBTL1
SCHEMBL12133494 0.89 GRM2 (0.46) NAMPTHDAC1GRM2AKT1L3MBTL1
SCHEMBL1349877 0.89 GRM2 (0.46) NAMPTHDAC1GRM2AKT1L3MBTL1
SCHEMBL12133211 0.88 NAMPT (0.48) NAMPTHDAC1GRM2AKT1CKS1B
SCHEMBL12133395 0.88 NAMPT (0.48) NAMPTHDAC1GRM2AKT1L3MBTL1

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-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG NAMPT 844/4885HDAC1 329/4885GRM2 3717/4885

“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.