SCHEMBL9909936

SCHEMBL9909936

Cc1nnnn1-c1ccc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
NAMPT P43490 1/20 0.42
MAPKAPK2 P49137 4/20 0.39
PTK2 Q05397 1/20 0.39
CYP17A1 P05093 2/20 0.39
PTGDR2 Q9Y5Y4 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
MAP4K4 O95819 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
SCHEMBL1164174 0.83 LMNA (0.43) PTK2MAPTKDM4EALDH1A1
SCHEMBL9909935 0.79 NAMPT (0.42) BRD4NAMPTMAPKAPK2CYP17A1PTGDR2
SCHEMBL9909933 0.77 KCNJ1 (0.53) NAMPTCYP17A1BCL2KDM4E
SCHEMBL9909937 0.76 NAMPT (0.49) NAMPTMAPKAPK2CYP17A1PSMB8MAP4K4
SCHEMBL30208803 0.75 NAMPT (0.56) NAMPTMAPKAPK2CYP17A1PTGDR2CA12
SCHEMBL376258 0.75 NAMPT (0.56) NAMPTMAPKAPK2CYP17A1PTGDR2CA12
SCHEMBL1984304 0.74 TRPV1 (0.57) NAMPTMAPTKDM4EALDH1A1WNT3A
SCHEMBL9909932 0.72 LMNA (0.53) NAMPTCYP17A1MAP4K4MAPTKDM4E
SCHEMBL29301634 0.72 MAPT (0.61) MAPTWNT3A
SCHEMBL24896788 0.72 NAMPT (0.41) BRD4NAMPTMAPKAPK2CYP17A1PTGDR2

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 BRD4 2506/4885NAMPT 2670/4885MAPKAPK2 2037/4885

“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.