SCHEMBL1741636

SCHEMBL1741636

COC(=O)C(CC(C)C)n1cc(C(F)(F)F)ncc1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAPK1 P28482 1/20 0.33
GCK P35557 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
P2RX3 P56373 1/20 0.31
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31

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
SCHEMBL1741637 1.00 ALDH1A1 (0.34) ALDH1A1NOS3NOS1NOS2MAPK1
SCHEMBL13244570 0.89 GCK (0.34) ALDH1A1GCKUSP1WDR48
SCHEMBL3703553 0.86 PSEN1 (0.34) GCK
SCHEMBL1740046 0.81 GCK (0.46) GCK
SCHEMBL1740043 0.81 GCK (0.46) GCK
SCHEMBL1741312 0.80 GCK (0.47) GCK
SCHEMBL1741313 0.80 GCK (0.47) GCK
SCHEMBL3015006 0.78 GCK (0.40) GCKF11KLKB1
SCHEMBL3015004 0.78 GCK (0.40) GCKF11KLKB1
SCHEMBL1740197 0.76 GCK (0.54) GCKF11KLKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071606-B2 Substituted pyrazinone amides useful for activation of glucokinase PFIZER INC. (US) 2011-12-06 US disclosed
EP-2389374-A1 SUBSTITUTED PYRAZINONE AMIDES Pfizer Inc. (US) 2011-11-30 EP disclosed
US-20110254560-A1 Electrical Systems and Battery Assemblies KDT ACL INVESTMENTS, LLC 2011-10-20 US disclosed
US-20100184777-A1 Substituted Pyrazinone Amides PFIZER INC 2010-07-22 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-20100184777-A1 Substituted Pyrazinone Amides GCK, GCKR, PDK2 ALDH1A1 1026/4885NOS3 1584/4885NOS1 2125/4885

“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.