SCHEMBL14740453

SCHEMBL14740453

Clc1ccc(/N=C/c2c(-c3cc(Cl)ccc3Cl)nc3ccccn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
PABPC1 P11940 1/20 0.43
POLB P06746 6/20 0.41
GAA P10253 4/20 0.41
RPS6KA3 P51812 3/20 0.41
CHEK2 O96017 2/20 0.41
GLA P06280 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL14740454 1.00 DPP4 (0.45) DPP4KDM4EALDH1A1RAB9AKMT2A
SCHEMBL14740348 0.82 ALDH1A1 (0.53) DPP4KDM4EALDH1A1RAB9AKMT2A
SCHEMBL14740783 0.71 DPP4 (0.48) DPP4KDM4EALDH1A1RAB9AKMT2A
SCHEMBL14739948 0.70 DPP4 (0.50) DPP4KDM4EALDH1A1RAB9AKMT2A
SCHEMBL15152571 0.70 GAA (0.59) DPP4KDM4EALDH1A1MAPTHPGD
SCHEMBL14740345 0.70 SMN1; SMN2 (0.49) DPP4KDM4EALDH1A1RAB9AKMT2A
SCHEMBL14740346 0.70 SMN1; SMN2 (0.49) DPP4KDM4EALDH1A1RAB9AKMT2A
SCHEMBL14740016 0.69 SMN1; SMN2 (0.51) DPP4KDM4EALDH1A1RAB9AKMT2A
SCHEMBL14740339 0.69 DPP4 (0.46) DPP4KDM4ERAB9AKMT2APOLB
SCHEMBL14740335 0.69 LMNA (0.46) DPP4KDM4EALDH1A1KMT2AMAPT

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 8 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 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
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

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 DPP4 1385/4885KDM4E 4392/4885ALDH1A1 2048/4885

“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.