SCHEMBL2644288

SCHEMBL2644288

COC(C)(OC)c1cnc(NC(=O)C(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDR P35968 2/20 0.37
CNR2 P34972 1/20 0.37
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
MAPT P10636 2/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL3293626 0.77 MAPK1 (0.44) NPC1RAB9AALDH1A1L3MBTL1TP53
SCHEMBL1445667 0.75 L3MBTL1 (0.42) NPC1RAB9AALDH1A1L3MBTL1TP53
SCHEMBL2644678 0.73 L3MBTL1 (0.41) NPC1RAB9AALDH1A1L3MBTL1TP53
SCHEMBL4229894 0.73 RAB9A (0.58) NPC1RAB9ATP53SMN1; SMN2CYP1A2
SCHEMBL2646001 0.71 L3MBTL1 (0.39) NPC1RAB9AALDH1A1L3MBTL1TP53
SCHEMBL3512294 0.71 L3MBTL1 (0.39) NPC1RAB9AALDH1A1L3MBTL1TP53
SCHEMBL1560930 0.71 NPC1 (0.56) NPC1RAB9AALDH1A1L3MBTL1TP53
SCHEMBL1445413 0.70 CNR2 (0.39) NPC1RAB9AALDH1A1L3MBTL1TP53
SCHEMBL1445669 0.69 CNR2 (0.34) NPC1RAB9AALDH1A1L3MBTL1TP53
SCHEMBL1445808 0.69 CNR2 (0.36) NPC1RAB9AALDH1A1L3MBTL1TP53

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 2806/4885RAB9A 3442/4885ALDH1A1 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.