SCHEMBL14739677

SCHEMBL14739677

FC(F)(F)c1ccc(-n2nnnc2-c2c(-c3cc(Cl)ccc3Cl)nc3cccnn23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HTT P42858 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
P2RX7 Q99572 1/20 0.37
NOTUM Q6P988 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4B Q07343 3/20 0.35
PDE4D Q08499 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK14 Q16539 1/20 0.35
PDE2A O00408 3/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
TSHR P16473 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
SCHEMBL14740076 0.92 LMNA (0.43) L3MBTL1ALDH1A1HTTKDM4ENPSR1
SCHEMBL18622357 0.87 P2RX7 (0.41) L3MBTL1ALDH1A1HTTKDM4ENPSR1
SCHEMBL14740306 0.84 NR1I3 (0.45) L3MBTL1ALDH1A1HTTKDM4ENPSR1
SCHEMBL14740293 0.84 MAPK14 (0.38) PDE4BPDE4DMAPK14PDE2APDE4A
SCHEMBL14740066 0.76 PDE4B (0.40) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL14740335 0.75 LMNA (0.46) ALDH1A1HTTKDM4ENPSR1LMNA
SCHEMBL18622354 0.72 PDE4B (0.36) P2RX7PDE4BPDE4DMAPK14PDE4A
SCHEMBL18622355 0.72 NR1I3 (0.47) ALDH1A1LMNAHSD17B10CYP1A2CYP3A4
SCHEMBL14739635 0.71 L3MBTL1 (0.44) L3MBTL1ALDH1A1HTTKDM4ENPSR1
SCHEMBL14740391 0.70 PDE4B (0.38) PDE4BPDE4DMAPK14PDE4APDE4C

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 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
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 L3MBTL1 4645/4885ALDH1A1 2048/4885HTT 3046/4885

“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.