SCHEMBL1040929

SCHEMBL1040929

FC(F)(F)Oc1cc(Cl)c(I)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.41
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
NOTUM Q6P988 1/20 0.35
FFAR4 Q5NUL3 5/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
GRIN2B Q13224 1/20 0.33
DRD3 P35462 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
MAPT P10636 2/20 0.32
FFAR1 O14842 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN5A Q14524 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL7928085 0.83 ALDH1A1 (0.39) GPR3AKR1C2AKR1C1NOTUMFFAR4
SCHEMBL11274922 0.81 GPR3 (0.36) GPR3AKR1C2AKR1C1NOTUMFFAR4
SCHEMBL22573124 0.80 MAPK1 (0.34) AKR1C2AKR1C1FFAR4DRD3MAPK1
SCHEMBL25372577 0.79 GPR3 (0.35) GPR3AKR1C2AKR1C1NOTUMFFAR4
SCHEMBL3203026 0.79 AKR1C2 (0.49) GPR3AKR1C2AKR1C1NOTUMFFAR4
SCHEMBL9224313 0.79 GPR3 (0.35) GPR3AKR1C2AKR1C1NOTUMFFAR4
SCHEMBL12536048 0.79 GPR3 (0.37) GPR3AKR1C2AKR1C1NOTUMFFAR4
SCHEMBL342267 0.79 ALDH1A1 (0.44) GPR3AKR1C2AKR1C1NOTUMFFAR4
SCHEMBL508083 0.79 GPR3 (0.44) GPR3AKR1C2AKR1C1NOTUMFFAR4
SCHEMBL34474782 0.79 GPR3 (0.44) GPR3AKR1C2AKR1C1NOTUMFFAR4

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-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
EP-2270014-A1 Azepine inhibitors of janus kinases Incyte Corporation (US) 2011-01-05 EP disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
EP-1926735-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES Incyte Corporation (US) 2008-06-04 EP disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
WO-2007038215-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2007-04-05 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 (4 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GPR3 3715/4885AKR1C2 3734/4885AKR1C1 3656/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GPR3 3715/4885AKR1C2 3734/4885AKR1C1 3656/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 GPR3 3715/4885AKR1C2 3734/4885AKR1C1 3656/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GPR3 3715/4885AKR1C2 3734/4885AKR1C1 3656/4885

“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.