SCHEMBL2645332

SCHEMBL2645332

N#Cc1ccc(-c2cnc(N)cn2)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
FEN1 P39748 7/20 0.39
ALOX5AP P20292 6/20 0.39
MAPK1 P28482 1/20 0.38
PIK3CA P42336 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PIK3CD O00329 1/20 0.36
KDR P35968 2/20 0.36
BACE1 P56817 1/20 0.35
PGR P06401 1/20 0.35
LRRK2 Q5S007 1/20 0.34
INPPL1 O15357 1/20 0.34
TRPA1 O75762 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
SCHEMBL13074418 0.73 PGR (0.43) KDM1AMAPK1PIK3CAMAPK8MAPK9
SCHEMBL969980 0.72 KDM1A (0.43) KDM1AMAPK1PIK3CAMAPK8MAPK9
SCHEMBL15173501 0.72 KDM1A (0.44) KDM1AFEN1MAPK1PIK3CAMAPK8
SCHEMBL21484834 0.71 ALDH1A1 (0.58) KDM1ABACE1
SCHEMBL498595 0.71 PGR (0.42) KDM1AMAPK1PIK3CAMAPK8MAPK9
SCHEMBL527580 0.69 KDM1A (1.00) KDM1A
SCHEMBL527581 0.69 KDM1A (1.00) KDM1A
SCHEMBL15135731 0.69 KDM1A (1.00) KDM1A
SCHEMBL5937169 0.69 P4HA1 (0.56) KDM1AMAPK1PIK3CAMAPK8MAPK9
SCHEMBL20924181 0.69 KDM1A (0.68) KDM1AMAPK1PIK3CAMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100469770-C 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2009-03-18 CN disclosed
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
CN-1726197-A 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2006-01-25 CN 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 KDM1A 2594/4885FEN1 4364/4885ALOX5AP 3219/4885

“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.