SCHEMBL867990

SCHEMBL867990

CC(C)(C)OC(=O)NCc1ccc(-c2nc3ncnn3cc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
CKS1B P61024 3/20 0.43
SKP1 P63208 3/20 0.43
SKP2 Q13309 3/20 0.43
NAMPT P43490 5/20 0.43
AKT1 P31749 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
NR1H2 P55055 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCKBR P32239 1/20 0.38

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
SCHEMBL28129413 0.76 NAMPT (0.58) HDAC1CKS1BSKP1SKP2NAMPT
SCHEMBL1691047 0.75 HDAC1 (0.67) HDAC1NAMPTL3MBTL1MEN1KMT2A
SCHEMBL12133253 0.75 NAMPT (0.50) HDAC1CKS1BSKP1SKP2NAMPT
SCHEMBL12133738 0.75 HDAC1 (0.48) HDAC1CKS1BSKP1SKP2NAMPT
SCHEMBL12133553 0.75 NAMPT (0.54) HDAC1CKS1BSKP1SKP2NAMPT
SCHEMBL12133342 0.74 NAMPT (0.49) HDAC1CKS1BSKP1SKP2NAMPT
SCHEMBL2281584 0.74 NAMPT (0.49) HDAC1CKS1BSKP1SKP2NAMPT
SCHEMBL12132990 0.74 NAMPT (0.49) HDAC1CKS1BSKP1SKP2NAMPT
SCHEMBL17885237 0.73 HDAC1 (0.50) HDAC1CKS1BSKP1SKP2NAMPT
SCHEMBL25572059 0.73 PCSK9 (0.45) HDAC1CKS1BSKP1SKP2NAMPT

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-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 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-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB HDAC1 430/4885CKS1B 150/4885SKP1 1170/4885

“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.