SCHEMBL671649

SCHEMBL671649

CC(C)(C)OC(=O)N1CCN(c2cc(F)c(F)c(CBr)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GPR119 Q8TDV5 7/20 0.44
PDK2 Q15119 1/20 0.43
DPP4 P27487 1/20 0.43
CXCR2 P25025 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MMP13 P45452 2/20 0.42
ADAMTS5 Q9UNA0 2/20 0.42
CYP2C19 P33261 1/20 0.42
MMP2 P08253 1/20 0.42
MMP14 P50281 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.41
CHRM4 P08173 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL671635 0.89 LMNA (0.47) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL20140111 0.87 MAPT (0.54) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL31623073 0.82 MAPT (0.52) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL671902 0.81 ALDH1A1 (0.48) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL15754287 0.80 ALDH1A1 (0.52) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL1663320 0.80 GPR119 (0.47) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL29707428 0.79 GPR119 (0.49) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL28505612 0.79 MAPT (0.51) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL4941010 0.79 LMNA (0.51) LMNAMAPTALDH1A1GPR119PDK2
SCHEMBL27183715 0.79 MAPT (0.51) LMNAMAPTALDH1A1GPR119PDK2

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-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
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 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 (1 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-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 LMNA 4624/4885MAPT 4493/4885ALDH1A1 2345/4885

“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.