SCHEMBL2645009

SCHEMBL2645009

Nc1cnc(-c2ccc3[nH]ccc3c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.56
LRRK2 Q5S007 4/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 1/20 0.56
NPC1 O15118 1/20 0.50
TLR9 Q9NR96 2/20 0.49
TLR8 Q9NR97 2/20 0.49
TLR7 Q9NYK1 2/20 0.49
FYN P06241 1/20 0.49
CHRNA7 P36544 1/20 0.47
KCNH2 Q12809 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
FGFR2 P21802 1/20 0.46
FLT3 P36888 1/20 0.46
NISCH Q9Y2I1 1/20 0.45
DYRK1A Q13627 2/20 0.45

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
SCHEMBL10187344 0.83 LRRK2 (0.67) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL722260 0.82 FGFR2 (0.54) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL29763779 0.79 KMO (0.53) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL5850255 0.75 NPC1 (0.79) MAP3K11NPC1FYNCA12CA1
SCHEMBL20658424 0.75 NPC1 (0.56) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL8664673 0.74 PDPK1 (0.47) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL1856894 0.73 NPC1 (0.50) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL723923 0.73 MAP3K11 (1.00) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL2403955 0.73 MAPT (0.48) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL2745043 0.73 DHFR (0.59) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9

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 MAP3K11 284/4885LRRK2 2113/4885CYP3A4 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.