SCHEMBL4098293

SCHEMBL4098293

OC(Cc1ccnc(F)c1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
NR3C2 P08235 2/20 0.44
KCNH3 Q9ULD8 5/20 0.43
AOC3 Q16853 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 3/20 0.36
KCNQ2 O43526 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8493396 0.87 LOXL2 (0.49) LOXL2NR3C2KCNH3AOC3KDM4E
SCHEMBL756570 0.84 NR3C2 (0.48) NR3C2AOC3PTGDR2KDM4EKCNQ2
SCHEMBL10397242 0.76 AOC3 (0.52) LOXL2AOC3KDM4ECYP3A4ALOX15
SCHEMBL12880418 0.73 LOXL2 (0.57) LOXL2KCNH3KDM4EKCNQ2CYP3A4
SCHEMBL828092 0.72 RAB9A (0.53) LOXL2NR3C2KCNH3KDM4EKCNQ2
SCHEMBL14837324 0.72 TRPA1 (0.47) AOC3CYP3A4CYP1A2CYP2C9
SCHEMBL10636338 0.71 KDM4E (0.55) AOC3KDM4EHTT
SCHEMBL116309 0.70
SCHEMBL6511267 0.70 PTGDR2 (0.41) LOXL2KCNH3PTGDR2KDM4E
SCHEMBL9670103 0.70 DPP4 (0.48) AOC3KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 LOXL2 2849/4885NR3C2 2393/4885KCNH3 2861/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 LOXL2 2849/4885NR3C2 2393/4885KCNH3 2861/4885

“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.