SCHEMBL14740470

SCHEMBL14740470

Clc1ccc(-n2ccnc2-c2c(-c3ccccc3Cl)nc3ccccn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
DPP4 P27487 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CDK2 P24941 2/20 0.40
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
MAPK14 Q16539 4/20 0.40
NR1I3 Q14994 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1I2 O75469 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL14740209 0.91 DPP4 (0.43) GAADPP4HSP90AA1HSP90AB1CDK2
SCHEMBL14739067 0.84 TP53 (0.41) TP53GAADPP4HSP90AA1HSP90AB1
SCHEMBL14740191 0.83 NR1I3 (0.43) GAADPP4CDK2NR1I3KDM4E
SCHEMBL14739349 0.82 NR1I3 (0.42) GAADPP4CDK2NR1I3KDM4E
SCHEMBL18622362 0.82 NR1I3 (0.44) DPP4NR1I3KDM4EALDH1A1GLA
SCHEMBL14739270 0.82 TP53 (0.41) TP53GAADPP4HSP90AA1HSP90AB1
SCHEMBL14739184 0.80 ALDH1A1 (0.50) TP53GAADPP4HSP90AA1HSP90AB1
SCHEMBL6499258 0.79 MAPKAPK2 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MAPKAPK2
SCHEMBL14740051 0.76 NR1I3 (0.43) GAADPP4NR1I3KDM4EALDH1A1
SCHEMBL14740066 0.74 PDE4B (0.40) MAPK13MAPK12MAPK11MAPK14MAPKAPK2

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
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US claimed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US claimed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO claimed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 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 (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-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR3 TP53 4561/4885GAA 1998/4885DPP4 1385/4885

“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.