SCHEMBL14739626

SCHEMBL14739626

Clc1ccc(Cl)c(-c2nc3ccccn3c2-c2nncn2-c2ccc(N3CCCC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 6/20 0.41
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
MAPK11 Q15759 4/20 0.35
MAPK14 Q16539 4/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
NR1I2 O75469 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL14740476 0.93 GAA (0.41) NR1I3DPP4KDM4EMAPKAPK2MEN1
SCHEMBL14739952 0.92 KDM1A (0.40) NR1I3DPP4MAPKAPK2MAPK13MAPK12
SCHEMBL14740051 0.91 NR1I3 (0.43) NR1I3DPP4KDM4EKMT2ANR1I2
SCHEMBL14740103 0.88 NR1I3 (0.41) NR1I3DPP4KDM4EKMT2ANR1I2
SCHEMBL14739332 0.88 MAPK13 (0.41) NR1I3DPP4KDM4EMAPK13MAPK12
SCHEMBL14739599 0.87 NR1I3 (0.41) NR1I3DPP4KDM4ENR1I2ALDH1A1
SCHEMBL14739888 0.86 NR1I3 (0.40) NR1I3DPP4KDM4EMAPK13MAPK12
SCHEMBL14739276 0.86 NR1I3 (0.43) NR1I3DPP4KDM4EMAPK13MAPK12
SCHEMBL14739596 0.85 MAPT (0.39) NR1I3DPP4KDM4EMAPK13MAPK12
SCHEMBL14740314 0.85 NR1I3 (0.45) NR1I3DPP4NR1I2

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
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO claimed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US 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
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
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

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 NR1I3 197/4885DPP4 1385/4885KDM4E 4392/4885

“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.