SCHEMBL2645238

SCHEMBL2645238

Nc1cnc(-c2cccs2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
HSD17B10 Q99714 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 4/20 0.53
HPGD P15428 3/20 0.53
GAA P10253 1/20 0.53
CASP1 P29466 1/20 0.53
MAPK10 P53779 1/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL2395759 0.78 NPC1 (0.52) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL28611940 0.78 KDM4E (0.51) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL2827765 0.73 FYN (0.56) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL12727899 0.73 KDM4E (0.52) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL10408880 0.73 KDM4E (0.52) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL4149216 0.72 KDM4E (0.50) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL3155423 0.72 CYP3A4 (0.55) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL21127191 0.72 KDM4E (0.50) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL956185 0.72 ALDH1A1 (0.52) NPC1HSD17B10CYP3A4CYP2C9CYP1A2
SCHEMBL13917342 0.71 CYP2C9 (0.53) NPC1HSD17B10CYP3A4CYP2C9CYP1A2

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 NPC1 2806/4885HSD17B10 849/4885CYP3A4 235/4885

“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.