SCHEMBL2179331

SCHEMBL2179331

COCCCOc1cc(/C=C/c2ccc(F)cc2)cc(C(=O)Nc2cnccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.56
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2175022 0.91 CHRNB2 (0.53) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2181133 0.91 GCK (0.59) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2178520 0.91 CHRNB2 (0.49) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2177729 0.90 GCK (0.59) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2179286 0.88 CHRNB2 (0.50) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2180450 0.88 GCK (0.58) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2179480 0.87 GCK (0.59) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2179334 0.87 GCK (0.74) GCK
SCHEMBL2181193 0.86 GCK (0.51) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2175884 0.85 GCK (0.59) GCKCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 GCK 1/4885CHRNB2 4724/4885CHRNB4 4805/4885

“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.