SCHEMBL2645239

SCHEMBL2645239

COCCNc1cnc(N)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
NCF1 P14598 1/20 0.43
PDPK1 O15530 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
LDHA P00338 1/20 0.40
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX15 P16050 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
APEX1 P27695 1/20 0.38
CASP7 P55210 1/20 0.38
ALOX5AP P20292 1/20 0.38
PDE5A O76074 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
LRRK2 Q5S007 2/20 0.37
FYN P06241 2/20 0.37

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
SCHEMBL2644724 0.80 ALOX5AP (0.33) HCAR3PDPK1ALOX5AP
SCHEMBL15382063 0.80 HCAR3 (0.50) HCAR3NCF1ALDH1A1KDM4ELDHA
SCHEMBL24284200 0.79 HCAR3 (0.49) HCAR3ALDH1A1KDM4ELDHACYP1A2
SCHEMBL12693704 0.77 HCAR3 (0.48) HCAR3ALDH1A1KDM4ELDHACYP1A2
SCHEMBL31588400 0.77 HCAR3 (0.59) HCAR3NCF1PDPK1ALDH1A1KDM4E
SCHEMBL2791509 0.77 HCAR3 (0.59) HCAR3NCF1PDPK1ALDH1A1KDM4E
SCHEMBL12690364 0.76 HCAR3 (0.47) HCAR3ALDH1A1KDM4ELDHACYP1A2
SCHEMBL882479 0.76 HCAR3 (0.43) HCAR3ALDH1A1KDM4ELDHACYP1A2
SCHEMBL10218021 0.76 CHEK1 (0.50) ALDH1A1KDM4ECYP1A2CYP2C19ALOX15
SCHEMBL5037308 0.76 KDM4E (0.47) ALDH1A1KDM4ECYP2C19CLK4MKNK1

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 HCAR3 2255/4885NCF1 3002/4885PDPK1 156/4885

“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.