SCHEMBL672007

SCHEMBL672007

Fc1cc(CBr)cc(N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.43
AGXT P21549 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 4/20 0.38
AKT1 P31749 3/20 0.38
MTOR P42345 2/20 0.38
ACLY P53396 1/20 0.38
STAT6 P42226 1/20 0.37
NTRK1 P04629 1/20 0.37
PLAU P00749 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1C3 P42330 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL27885766 0.87 GPR183 (0.44) GPR183AGXTGSK3BKDM4ELMNA
SCHEMBL29866545 0.83 GPR183 (0.43) GPR183AGXTKDM4ELMNAMEN1
SCHEMBL23662602 0.83 GPR183 (0.43) GPR183AGXTKDM4ELMNAMEN1
SCHEMBL1662765 0.83 GPR183 (0.45) GPR183AGXTGSK3BKDM4ELMNA
SCHEMBL12831239 0.83 KDM4E (0.44) GPR183AGXTKDM4ELMNAMEN1
SCHEMBL3508314 0.82 KDM4E (0.50) GPR183KDM4ELMNAMEN1KMT2A
SCHEMBL6629681 0.81 GPR183 (0.44) GPR183AGXTKDM4ELMNAMEN1
SCHEMBL6688959 0.81 GPR183 (0.46) GPR183AGXTKDM4ELMNAMEN1
SCHEMBL23662642 0.80 GPR183 (0.43) GPR183AGXTGSK3BKDM4ELMNA
SCHEMBL3761215 0.77 MEN1 (0.44) GPR183KDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 GPR183 3479/4885AGXT 2267/4885GSK3B 614/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 GPR183 3365/4885AGXT 2102/4885GSK3B 585/4885

“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.