SCHEMBL14739276

SCHEMBL14739276

FC(F)(F)c1ccc(-n2cnnc2-c2c(-c3cc(Cl)ccc3Cl)nc3ccccn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 7/20 0.43
DPP4 P27487 1/20 0.38
NTRK1 P04629 2/20 0.37
P2RX7 Q99572 2/20 0.36
PDE2A O00408 3/20 0.35
NR1I2 O75469 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 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
SCHEMBL14740051 0.92 NR1I3 (0.43) NR1I3DPP4NR1I2KDM4EALDH1A1
SCHEMBL14739821 0.91 NR1I3 (0.39) NR1I3DPP4NR1I2KDM4EALDH1A1
SCHEMBL14739332 0.90 MAPK13 (0.41) NR1I3DPP4NR1I2KDM4EALDH1A1
SCHEMBL14739599 0.89 NR1I3 (0.41) NR1I3DPP4NR1I2KDM4EALDH1A1
SCHEMBL14739623 0.89 MAPT (0.39) NR1I3DPP4NR1I2NPSR1MAPK13
SCHEMBL14740103 0.89 NR1I3 (0.41) NR1I3DPP4NR1I2KDM4EHSD17B10
SCHEMBL14739888 0.87 NR1I3 (0.40) NR1I3DPP4NR1I2KDM4EALDH1A1
SCHEMBL14740191 0.87 NR1I3 (0.43) NR1I3DPP4NTRK1NR1I2KDM4E
SCHEMBL14739596 0.86 MAPT (0.39) NR1I3DPP4NR1I2KDM4EALDH1A1
SCHEMBL14739626 0.86 NR1I3 (0.41) NR1I3DPP4NR1I2KDM4EALDH1A1

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
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
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 NR1I3 197/4885DPP4 1385/4885NTRK1 1372/4885

“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.