SCHEMBL3689267

SCHEMBL3689267

O=C(O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.36
EPRS1 P07814 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
CFTR P13569 1/20 0.33
GALR3 O60755 1/20 0.32
ASPH Q12797 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
TAS2R14 Q9NYV8 3/20 0.31
HTT P42858 1/20 0.31
PIN1 Q13526 1/20 0.30
ALKBH5 Q6P6C2 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
SCHEMBL1583997 0.86 PTGER1 (0.33) PTGER1EPRS1CFTRASPHEGLN1
SCHEMBL1583276 0.86 EPRS1 (0.35) PTGER1EPRS1RXFP1CFTRASPH
SCHEMBL13229138 0.84 EPRS1 (0.34) PTGER1EPRS1RXFP1CFTR
SCHEMBL3690213 0.84 NOTUM (0.44) CFTR
SCHEMBL3688490 0.83 LDHA (0.43) PTGER1TAS2R14PIN1
SCHEMBL3687750 0.82 PTGS1 (0.42) PTGER1EPRS1RXFP1HTT
SCHEMBL1583898 0.82 POLQ (0.35) PTGER1
SCHEMBL1583475 0.78 ERN1 (0.40) PTGER1EPRS1
SCHEMBL3688388 0.78 PIN1 (0.41) PIN1
SCHEMBL3685886 0.78 MARK3 (0.35) PTGER1EPRS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 PTGER1 1091/4885EPRS1 1261/4885RXFP1 4676/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 PTGER1 1091/4885EPRS1 1261/4885RXFP1 4676/4885

“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.