SCHEMBL14739775

SCHEMBL14739775

COc1nnc(-c2c(-c3cc(Cl)ccc3Cl)nc3ccccn23)n1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 11/20 0.41
NR1I2 O75469 3/20 0.39
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL14739346 0.88 NR1I3 (0.43) NR1I3NR1I2DPP4KDM4EKMT2A
SCHEMBL14740360 0.85 NR1I3 (0.43) NR1I3NR1I2DPP4KDM4EKMT2A
SCHEMBL14740266 0.78 DPP4 (0.42) NR1I3NR1I2DPP4KDM4EHSD17B10
SCHEMBL14740335 0.78 LMNA (0.46) NR1I3NR1I2DPP4KDM4EKMT2A
SCHEMBL14740051 0.78 NR1I3 (0.43) NR1I3NR1I2DPP4KDM4EKMT2A
SCHEMBL14740209 0.77 DPP4 (0.43) NR1I3NR1I2DPP4KDM4EKMT2A
SCHEMBL14739347 0.77 KMT2A (0.53) NR1I3DPP4KDM4EKMT2A
SCHEMBL14739267 0.77 DPP4 (0.42) NR1I3NR1I2DPP4KDM4EKMT2A
SCHEMBL14740387 0.76 DPP4 (0.42) NR1I3NR1I2DPP4KDM4EKMT2A
SCHEMBL14739888 0.73 NR1I3 (0.40) NR1I3NR1I2DPP4KDM4EHSD17B10

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 197/4885NR1I2 147/4885DPP4 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.