SCHEMBL2645148

SCHEMBL2645148

CCC(C)OC(=O)C(C(=O)O)c1cnc(N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CPB2 Q96IY4 8/20 0.35
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA5 P31644 5/20 0.34
GABRA3 P34903 5/20 0.34
GABRA2 P47869 5/20 0.34
GABRA6 Q16445 3/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
CPA1 P15085 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2644412 0.81 MAPT (0.34) MAPTALDH1A1
SCHEMBL12985769 0.80 MAPT (0.39) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL1964920 0.78 MAPT (0.39) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL9390235 0.76 ALDH1A1 (0.42) MAPTGABRA5GABRB2SMN1; SMN2KDM4E
SCHEMBL1645440 0.75 NPC1 (0.42) MAPTSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL2645143 0.74 CPB2 (0.42) MAPTCPB2GABRA1GABRG2GABRB3
SCHEMBL5309259 0.73 MAPT (0.36) MAPT
SCHEMBL4281827 0.72 MAPT (0.43) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL9988882 0.71 LMNA (0.51) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10322641 0.70 MAPT (0.41) MAPTGABRA1GABRG2GABRB3GABRA5

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 MAPT 3904/4885CPB2 2470/4885GABRA1 2046/4885

“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.