SCHEMBL1528331

SCHEMBL1528331

COc1cc(-c2nc(N)n[nH]2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
POLB P06746 1/20 1.00
TSHR P16473 1/20 1.00
HSD17B10 Q99714 4/20 0.69
ALDH1A1 P00352 5/20 0.66
HPGD P15428 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
GAA P10253 4/20 0.54
GRK6 P43250 2/20 0.52
MPI P34949 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.45
ALPL P05186 1/20 0.45
ACHE P22303 2/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL28075492 0.77 KDM4E (0.62) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL17279690 0.75 NR1H2 (0.60) KDM4EPOLBTSHRALDH1A1HPGD
SCHEMBL17280055 0.75 KDM4E (0.60) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL28075488 0.74 KDM4E (0.58) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL19356067 0.73 KDM4E (0.58) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL6741816 0.73 KDM4E (0.58) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL28075481 0.73 KDM4E (0.57) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL28095619 0.73 KDM4E (0.57) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL28833548 0.73 KDM4E (0.57) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL5789379 0.72 KDM4E (1.00) KDM4EPOLBTSHRHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948614-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-07-30 EP claimed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US claimed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO claimed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
EP-1948614-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-07-30 EP disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 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 (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-20070197532-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 KDM4E 2963/4885POLB 2179/4885TSHR 3425/4885
US-20110070297-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 KDM4E 2963/4885POLB 2179/4885TSHR 3425/4885

“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.