SCHEMBL673128

SCHEMBL673128

CC(C)(C)OC(=O)N1CCCC(Cn2cc(N)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.49
CTSD P07339 1/20 0.49
FEN1 P39748 3/20 0.45
ALOX5AP P20292 2/20 0.45
GLS O94925 2/20 0.44
CYP2C9 P11712 1/20 0.43
IRAK1 P51617 1/20 0.43
ACKR3 P25106 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.41
SCN9A Q15858 1/20 0.41
CHEK2 O96017 1/20 0.41
HPGD P15428 1/20 0.40
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
HPGDS O60760 1/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL672023 0.93 TGFBR1 (0.44) BACE1CTSDFEN1ALOX5APTGFBR1
SCHEMBL25193692 0.89 JAK3 (0.43) BACE1CTSDFEN1ALOX5AP
SCHEMBL18765124 0.88 FEN1 (0.49) BACE1CTSDFEN1ALOX5APGLS
SCHEMBL14009589 0.88 FEN1 (0.46) BACE1CTSDFEN1ALOX5APGLS
SCHEMBL21369624 0.87 FEN1 (0.45) BACE1CTSDFEN1ALOX5APGLS
SCHEMBL2802074 0.87 FEN1 (0.45) BACE1CTSDFEN1ALOX5APGLS
SCHEMBL15645613 0.86 BACE1 (0.48) BACE1HPGDTGFBR1
SCHEMBL28923952 0.85 GLS (0.45) BACE1CTSDFEN1ALOX5APGLS
SCHEMBL18764696 0.85 GPR119 (0.44) BACE1CTSDFEN1GLSCYP2C9
SCHEMBL2795787 0.81 USP30 (0.50) BACE1CTSDFEN1ALOX5APGLS

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 BACE1 2780/4885CTSD 2802/4885FEN1 3336/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 BACE1 3082/4885CTSD 2778/4885FEN1 3663/4885

“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.