SCHEMBL2667719

SCHEMBL2667719

Nc1ncc(Oc2cccc(O)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
ROCK1 Q13464 1/20 0.40
EIF2AK2 P19525 1/20 0.38
GSK3B P49841 1/20 0.38
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B1 P14061 3/20 0.36
HSD17B2 P37059 3/20 0.36
APP P05067 2/20 0.36
CYP2C9 P11712 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL29442841 0.81 MAP4K4 (0.43) GSK3BKDRMAPTALDH1A1F10
SCHEMBL21384250 0.81 MAP4K4 (0.43) GSK3BKDRMAPTALDH1A1F10
SCHEMBL10329783 0.81 ALDH1A1 (0.50) RAB9AMAPTLMNAHTTL3MBTL1
SCHEMBL2667405 0.81 CYP1A2 (0.46) L3MBTL1CYP2C9
SCHEMBL2667220 0.78 MAP4K4 (0.46)
SCHEMBL2667226 0.76 L3MBTL1 (0.50) RAB9AROCK1L3MBTL1NPC1
SCHEMBL11972341 0.76 IDO1 (0.36) LMNA
SCHEMBL11972404 0.74 ICAM1 (0.53) RAB9AMAPTL3MBTL1TDP1NPC1
SCHEMBL19937712 0.74 SLC7A5 (0.43) RAB9AROCK1CYP3A4HTTALDH1A1
SCHEMBL5149605 0.72 MAPT (0.42) RAB9ACYP3A4MAPTHTTL3MBTL1

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
US-8222285-B2 1,3-dihydroxy substituted phenylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222285-B2 1,3-dihydroxy substituted phenylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100179121-A1 1,3-DIHYDROXY SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-07-15 US disclosed
US-20100179121-A1 1,3-DIHYDROXY SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-07-15 US disclosed
WO-2008154563-A1 1, 3 - DIHYDROXY SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-18 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-20100179121-A1 1,3-DIHYDROXY SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS GCKR, GCK, NR4A3 RAB9A 1081/4885ROCK1 3977/4885EIF2AK2 2439/4885

“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.