SCHEMBL9909935

SCHEMBL9909935

Cc1nnn(-c2ccc(NC(=O)OC(C)(C)C)cn2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
BRD4 O60885 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAP4K4 O95819 1/20 0.39
MAPKAPK2 P49137 3/20 0.39
CYP17A1 P05093 3/20 0.39
MAPK14 Q16539 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB8 P28062 1/20 0.37
BCL2 P10415 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
WNT3A P56704 1/20 0.36

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
SCHEMBL9108667 0.83 MAPT (0.39) MAPTKDM4EALDH1A1
SCHEMBL9909937 0.81 NAMPT (0.49) NAMPTMAP4K4MAPKAPK2CYP17A1PSMB8
SCHEMBL9909936 0.79 BRD4 (0.42) NAMPTBRD4PTGDR2MAP4K4MAPKAPK2
SCHEMBL30208803 0.75 NAMPT (0.56) NAMPTPTGDR2MAP4K4MAPKAPK2CYP17A1
SCHEMBL376258 0.75 NAMPT (0.56) NAMPTPTGDR2MAP4K4MAPKAPK2CYP17A1
SCHEMBL9909933 0.75 KCNJ1 (0.53) NAMPTCYP17A1BCL2KDM4E
SCHEMBL24896788 0.74 NAMPT (0.41) NAMPTBRD4PTGDR2MAP4K4MAPKAPK2
SCHEMBL30919449 0.74 NAMPT (0.41) NAMPTBRD4PTGDR2MAP4K4MAPKAPK2
SCHEMBL1984304 0.74 TRPV1 (0.57) NAMPTMAPTKDM4EALDH1A1WNT3A
SCHEMBL29301634 0.72 MAPT (0.61) MAPTWNT3A

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 2 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

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 2670/4885BRD4 2506/4885PTGDR2 36/4885

“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.