SCHEMBL14740293

SCHEMBL14740293

FC(F)(F)c1ccc(-n2ccnc2-c2c(-c3cc(Cl)ccc3Cl)nc3cccnn23)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.38
PDE4B Q07343 12/20 0.37
PDE4D Q08499 12/20 0.37
PDE4A P27815 9/20 0.36
PDE4C Q08493 9/20 0.36
MAPK13 O15264 5/20 0.36
MAPK12 P53778 5/20 0.36
MAPK11 Q15759 5/20 0.36
PDE2A O00408 2/20 0.33

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
SCHEMBL14740066 0.92 PDE4B (0.40) MAPK14PDE4BPDE4DPDE4APDE4C
SCHEMBL18622354 0.88 PDE4B (0.36) MAPK14PDE4BPDE4DPDE4APDE4C
SCHEMBL14740391 0.86 PDE4B (0.38) MAPK14PDE4BPDE4DPDE4APDE4C
SCHEMBL14740191 0.85 NR1I3 (0.43)
SCHEMBL14739677 0.84 L3MBTL1 (0.40) MAPK14PDE4BPDE4DPDE4APDE4C
SCHEMBL14740209 0.77 DPP4 (0.43)
SCHEMBL14740076 0.74 LMNA (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL18622362 0.73 NR1I3 (0.44)
SCHEMBL4563977 0.73 HSD11B1 (0.45)
SCHEMBL14739276 0.72 NR1I3 (0.43) MAPK14MAPK13MAPK12MAPK11PDE2A

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 10 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
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-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO 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 MAPK14 1863/4885PDE4B 358/4885PDE4D 284/4885

“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.