SCHEMBL2645890

SCHEMBL2645890

COC(=O)c1cnc(C2OCCO2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
PCSK9 Q8NBP7 1/20 0.40
PDE10A Q9Y233 2/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LCK P06239 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
PDE5A O76074 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL24724195 0.79 MAPK1 (0.46) MAPK1PCSK9PDE10AKDM4EL3MBTL1
SCHEMBL68869 0.77 MAPK1 (0.63) MAPK1PCSK9KDM4EL3MBTL1LCK
SCHEMBL6261890 0.77 MAPK1 (0.53) MAPK1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL24955122 0.77 MAPK1 (0.53) MAPK1PDE10AKDM4EL3MBTL1NPC1
SCHEMBL20401094 0.76 MAPK1 (0.44) MAPK1PCSK9PDE10AKDM4EL3MBTL1
SCHEMBL2645206 0.76 MAPK1 (0.41) MAPK1PCSK9KDM4EL3MBTL1LCK
SCHEMBL20401091 0.75 MAPK1 (0.45) MAPK1PCSK9PDE10AKDM4EL3MBTL1
SCHEMBL62725 0.75 SMO (0.41) MAPK1PCSK9PDE10ASMO
SCHEMBL63595 0.73 PLAT (0.46) MAPK1PCSK9PDE10AKDM4EL3MBTL1
SCHEMBL28667072 0.73 PCSK9 (0.39) MAPK1PCSK9PDE10AKDM4EL3MBTL1

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-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 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-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 MAPK1 919/4885PCSK9 1600/4885PDE10A 913/4885

“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.