SCHEMBL9909934

SCHEMBL9909934

CC(C)(C)OC(=O)Nc1cnc(-n2cncn2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
CYP17A1 P05093 4/20 0.40
EGLN2 Q96KS0 1/20 0.38
LMNA P02545 1/20 0.38
MAP4K4 O95819 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL9909932 0.84 LMNA (0.53) NAMPTCYP17A1LMNAMAP4K4MAPT
SCHEMBL1162957 0.80 GPR119 (0.50) NAMPTCYP17A1LMNAMAP4K4GPR119
SCHEMBL9113558 0.79 ALKBH1 (0.42) LMNAKDM4EPOLB
SCHEMBL19180758 0.78 NAMPT (0.54) NAMPTCYP17A1EGLN2MAP4K4MAPKAPK2
SCHEMBL5336104 0.76 CYP17A1 (0.41) NAMPTCYP17A1LMNAMAP4K4GPR119
SCHEMBL30352406 0.72 NAMPT (0.51) NAMPTCYP17A1MAP4K4IDO1MAPKAPK2
SCHEMBL1548181 0.72 MAPKAPK2 (0.47) NAMPTCYP17A1MAP4K4MAPKAPK2
SCHEMBL22110342 0.72 MAPKAPK2 (0.47) NAMPTCYP17A1MAP4K4MAPKAPK2
SCHEMBL12517613 0.72 NAMPT (0.45) NAMPTCYP17A1MAP4K4MAPKAPK2MAPK14
SCHEMBL5338939 0.72 LMNA (0.44) CYP17A1LMNAMAP4K4GPR119MAPT

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
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
WO-2011019538-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2011-02-17 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-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR NAMPT 2670/4885CYP17A1 875/4885EGLN2 847/4885

“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.