SCHEMBL9909933

SCHEMBL9909933

CC(C)(C)OC(=O)Nc1ccc(-n2cnnn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.53
NAMPT P43490 1/20 0.46
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP17A1 P05093 2/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
F11 P03951 1/20 0.40
BCL2 P10415 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
IDO1 P14902 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
SCHEMBL9909932 0.81 LMNA (0.53) NAMPTKDM4ESMN1; SMN2CYP17A1MEN1
SCHEMBL9111469 0.80 KCNJ1 (0.58) KCNJ1KDM4ETSHRSMN1; SMN2CYP3A4
SCHEMBL9909936 0.77 BRD4 (0.42) NAMPTKDM4ECYP17A1BCL2
SCHEMBL9909937 0.77 NAMPT (0.49) NAMPTCYP17A1BCL2
SCHEMBL15018070 0.76 KCNJ1 (0.52) KCNJ1NAMPTKDM4ETSHRSMN1; SMN2
SCHEMBL24896788 0.75 NAMPT (0.41) NAMPTKDM4ECYP17A1BCL2
SCHEMBL30919449 0.75 NAMPT (0.41) NAMPTKDM4ECYP17A1BCL2
SCHEMBL25253360 0.75 MAPKAPK2 (0.45) NAMPTCYP17A1
SCHEMBL1984304 0.75 TRPV1 (0.57) NAMPTKDM4ESMN1; SMN2RAB9A
SCHEMBL9909935 0.75 NAMPT (0.42) NAMPTKDM4ECYP17A1BCL2

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 KCNJ1 1677/4885NAMPT 2670/4885KDM4E 3625/4885

“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.