SCHEMBL14740449

SCHEMBL14740449

N#Cc1ccc(-n2nnnc2-c2c(-c3cc(Cl)ccc3Cl)nc3ccccn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 6/20 0.45
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 7/20 0.38
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 4/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 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
SCHEMBL14740335 0.91 LMNA (0.46) NR1I3LMNAHSD17B10ALDH1A1DPP4
SCHEMBL18622355 0.85 NR1I3 (0.47) NR1I3LMNAHSD17B10ALDH1A1DPP4
SCHEMBL14745122 0.85 KCNN4 (0.42) NR1I3ALDH1A1DPP4KDM4EGLA
SCHEMBL14740306 0.85 NR1I3 (0.45) NR1I3LMNAHSD17B10ALDH1A1DPP4
SCHEMBL14740120 0.83 NR1I3 (0.43) NR1I3HSD17B10ALDH1A1DPP4KDM4E
SCHEMBL14739184 0.83 ALDH1A1 (0.50) NR1I3LMNAHSD17B10ALDH1A1DPP4
SCHEMBL14739349 0.83 NR1I3 (0.42) NR1I3HSD17B10ALDH1A1DPP4KDM4E
SCHEMBL14739635 0.78 L3MBTL1 (0.44) LMNAHSD17B10ALDH1A1KDM4EGAA
SCHEMBL14740234 0.76 ALDH1A1 (0.43) NR1I3LMNAHSD17B10ALDH1A1KDM4E
SCHEMBL14740387 0.75 DPP4 (0.42) NR1I3HSD17B10ALDH1A1DPP4KDM4E

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
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
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 197/4885LMNA 2636/4885HSD17B10 1243/4885

“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.