SCHEMBL2645312

SCHEMBL2645312

O=C(OCCOC1CCCCO1)c1cnc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.35
▸ ICAM1 P05362 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL3511707 0.76 NPC1 (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL11994833 0.75 MEN1 (0.47) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL3511939 0.74 KDM4C (0.56) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL2644185 0.74 KMT2A (0.51) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL29055398 0.72 MEN1 (0.49) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL17288212 0.72 KDM4C (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL5197679 0.72 MEN1 (0.51) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL29055399 0.71 MEN1 (0.51) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL29703979 0.70 MEN1 (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL12343371 0.70 MEN1 (0.47) KMT2AMEN1KDM4CL3MBTL1NPC1

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 KMT2A 2865/4885MEN1 3461/4885KDM4C 1965/4885

“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.

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