SCHEMBL2664862

SCHEMBL2664862

CN(C)CCNc1ccc(NC(=O)c2cc(OCc3ccccc3C#N)cc(OCc3ccccc3C#N)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.52
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
SGMS2 Q8NHU3 1/20 0.42
SPHK2 Q9NRA0 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
TP53 P04637 1/20 0.40
FGFR4 P22455 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CXCR2 P25025 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9071576 0.95 GCK (0.47) GCKRARARARBRARGSGMS2
SCHEMBL1793057 0.89 GCK (0.53) GCKRARARARBRARGSGMS2
SCHEMBL2664864 0.88 GCK (0.53) GCKRARARARBRARGSGMS2
SCHEMBL2665330 0.85 GCK (0.49) GCKRARARARBRARGSGMS2
SCHEMBL2664861 0.82 GCK (0.51) GCKRARARARBRARGSGMS2
SCHEMBL14217544 0.80 GCK (0.56) GCKRARARARBRARGSGMS2
SCHEMBL2664858 0.80 GCK (0.57) GCKRARARARBRARGSGMS2
SCHEMBL2664860 0.79 GCK (0.48) GCKRARARARBRARGSGMS2
SCHEMBL12652438 0.76 GCK (0.55) GCKRARARARBRARGNPC1
SCHEMBL12615087 0.76 GCK (0.49) GCKRARARARBRARGSGMS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7390908-B2 Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes ASTRAZENECA AB (SE) 2008-06-24 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 (2 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-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 GCK 2/4885RARA 3925/4885RARB 3902/4885
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE GCKR, GCK, SLC5A2 GCK 2/4885RARA 3925/4885RARB 3902/4885

“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.