SCHEMBL2331241

SCHEMBL2331241

FC(F)(F)CCc1cnc(Cl)nc1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL14891389 0.88
SCHEMBL1787954 0.76
SCHEMBL10060686 0.75
SCHEMBL30135451 0.72 JUN (0.33) JUNNFKB1NFKB2RELA
SCHEMBL303902 0.70 NPC1 (0.40) NFKB1
SCHEMBL10060439 0.70 KDM4E (0.40)
SCHEMBL1923566 0.70 TDP1 (0.39)
SCHEMBL23392408 0.69 CYP11B1 (0.40) NFKB1NFKB2RELA
SCHEMBL11059680 0.68 TAAR1 (0.50) HTR2AHTR2B
SCHEMBL11130634 0.68 TAAR1 (0.42)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-10-11 US disclosed
US-8232404-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-8003796-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 US disclosed
EP-2170864-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 US disclosed
WO-2009012275-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 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 (3 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-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 JUN 3620/4885NFKB1 3249/4885NFKB2 3198/4885
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 JUN 3620/4885NFKB1 3249/4885NFKB2 3198/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 JUN 3456/4885NFKB1 3216/4885NFKB2 3205/4885

“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.