SCHEMBL2644735

SCHEMBL2644735

CC(=NOC(C)(C)C)c1cnc(NC(=O)C(C)(C)C)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDR P35968 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
PAX8 Q06710 1/20 0.33
KLF5 Q13887 1/20 0.33
ABL1 P00519 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL2644732 1.00 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL2644678 0.79 L3MBTL1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL3293626 0.77 MAPK1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL1445808 0.74 CNR2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL3290355 0.73 NPC1 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL3291100 0.73 CCNB2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL1445413 0.73 CNR2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL3290978 0.71 KDR (0.38) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL3297481 0.71 CNR2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL3296086 0.70 TRPA1 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19KDR

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
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
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US 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 CYP1A2 573/4885CYP3A4 235/4885CYP2C9 492/4885

“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.