SCHEMBL1368952

SCHEMBL1368952

CC(C)(C)OC(=O)NN1CC=C(c2cc(Cl)nc(Cl)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
LIPE Q05469 1/20 0.35
JAK1 P23458 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CYP11B2 P19099 1/20 0.34
CDK7 P50613 1/20 0.34
CDK13 Q14004 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CTSL P07711 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
CTSB P07858 1/20 0.33
GRM1 Q13255 5/20 0.33
GRM5 P41594 4/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PDK4 Q16654 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL1367319 0.82 MAPT (0.38) HTR1DHTR1BMAPTTHRB
SCHEMBL15534537 0.81 NAMPT (0.52) NAMPTJAK1GPR119CYP11B2CDK7
SCHEMBL7677344 0.77 NAMPT (0.39) NAMPTLIPECDK7CDK13CDK12
SCHEMBL20605254 0.74 LIPE (0.40) LIPEGPR119
SCHEMBL15536325 0.73 PDK4 (0.41) NAMPTJAK1GPR119CYP11B2GRM1
SCHEMBL15534693 0.72 ALDH1A1 (0.45) MAPT
SCHEMBL7671538 0.72 PDK4 (0.44) NAMPTLIPEJAK1GRM1GRM5
SCHEMBL1497809 0.69 NAMPT (0.43) NAMPTJAK1GPR119CYP11B2CDK7
SCHEMBL30478691 0.69 TBK1 (0.33) NAMPTLIPEGPR119HTR1DHTR1B
SCHEMBL30478686 0.69 TBK1 (0.33) NAMPTLIPEGPR119HTR1DHTR1B

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
US-8673891-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2014-03-18 US disclosed
US-20130131082-A1 Aminopyrazine Derivative and Medicine NIPPON SHINYAKU CO., LTD (JP) 2013-05-23 US disclosed
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 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 (2 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-20130131082-A1 Aminopyrazine Derivative and Medicine MC2R, AGTR2, AGTR1 NAMPT 4141/4885LIPE 4312/4885JAK1 677/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R NAMPT 4078/4885LIPE 4258/4885JAK1 665/4885

“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.