SCHEMBL2644572

SCHEMBL2644572

COCCNc1cnc([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HCAR3 P49019 2/20 0.47
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PTGER4 P35408 1/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL2645558 0.80 ALDH1A1 (0.41) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL30672834 0.78 MAPT (0.64) LMNAHCAR3ALDH1A1MAPTKDM4E
SCHEMBL30116055 0.78 LMNA (0.47) LMNAHCAR3ALDH1A1MAPTKDM4E
SCHEMBL14658935 0.78 MAPT (0.64) LMNAHCAR3ALDH1A1MAPTKDM4E
SCHEMBL2488318 0.78 LMNA (0.47) LMNAHCAR3ALDH1A1MAPTKDM4E
SCHEMBL15382063 0.74 HCAR3 (0.50) LMNAHCAR3ALDH1A1KDM4ECYP1A2
SCHEMBL24284200 0.72 HCAR3 (0.49) LMNAHCAR3ALDH1A1KDM4ECYP1A2
SCHEMBL2645239 0.72 HCAR3 (0.49) HCAR3ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL12693704 0.71 HCAR3 (0.48) LMNAHCAR3ALDH1A1KDM4ECYP1A2
SCHEMBL872455 0.71 HCAR3 (0.62) HCAR3ALDH1A1KDM4EPTGER4

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 5 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
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 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-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 LMNA 4737/4885HCAR3 2255/4885ALDH1A1 568/4885

“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.