SCHEMBL2645558

SCHEMBL2645558

O=[N+]([O-])c1cnc(NCCO)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.36
MAP4K4 O95819 2/20 0.35
TYK2 P29597 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MINK1 Q8N4C8 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
DPP4 P27487 1/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
RAB9A P51151 1/20 0.35
CYP2C19 P33261 1/20 0.35
JAK2 O60674 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
SCHEMBL2644572 0.80 LMNA (0.48) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL10727509 0.78 GLA (0.47) ALDH1A1GAAPOLBKDM4EMAPT
SCHEMBL5100760 0.75 SMN1; SMN2 (0.60) ALDH1A1GAAPOLBMAPTKMT2A
SCHEMBL8791171 0.72 RAB9A (0.44) ALDH1A1GAAPOLBKDM4EMAPT
SCHEMBL9800768 0.72 MAPT (0.42) ALDH1A1POLBKDM4EMAPTTDP1
SCHEMBL10731129 0.71 CDK2 (0.32) ALDH1A1GAAPOLBTSHRLMNA
SCHEMBL3301527 0.69 KDM4E (0.47) ALDH1A1GAAPOLBKDM4EMAPT
SCHEMBL5037308 0.69 KDM4E (0.47) ALDH1A1GAAPOLBKDM4EMAP4K4
SCHEMBL16935115 0.69 HCAR3 (0.40) ALDH1A1GAAPOLBMAPTKMT2A
SCHEMBL29225114 0.69 ABCG2 (0.49) ALDH1A1GAAPOLBKDM4EMAPT

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 ALDH1A1 568/4885GAA 59/4885POLB 4316/4885

“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.