SCHEMBL9894201

SCHEMBL9894201

O=C(O)N1CCC(Oc2cc(CN3CC(O)C3)nc(C(F)(F)F)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.42
LOX P28300 1/20 0.36
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
LIPE Q05469 5/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KCNH2 Q12809 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
PIK3CD O00329 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
SCHEMBL6122505 0.88 GPR119 (0.44)
SCHEMBL6121558 0.85 LOXL2 (0.43) LOXL2LOXDRD2DRD3LIPE
SCHEMBL9893726 0.83 PIM1 (0.33) LOXL2
SCHEMBL6121938 0.83 LOXL2 (0.42) LOXL2LOXDRD2DRD3LIPE
SCHEMBL9895089 0.82 LOXL2 (0.41) LOXL2LOXDRD2DRD3LIPE
SCHEMBL9894420 0.80 LOXL2 (0.42) LOXL2LOXDRD2DRD3LIPE
SCHEMBL6121322 0.80 LOXL2 (0.42) LOXL2LOXDRD2DRD3LIPE
SCHEMBL6122636 0.79 LOXL2 (0.42) LOXL2LOXDRD2DRD3LIPE
SCHEMBL6122144 0.79 LOXL2 (0.43) LOXL2DRD2DRD3LIPEFFAR4
SCHEMBL6122245 0.78 LOXL2 (0.42) LOXL2LIPEFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US 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-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 LOXL2 920/4885LOX 838/4885DRD2 3035/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 LOXL2 809/4885LOX 746/4885DRD2 2677/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 LOXL2 920/4885LOX 838/4885DRD2 3035/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 LOXL2 920/4885LOX 838/4885DRD2 3035/4885

“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.