SCHEMBL672023

SCHEMBL672023

CC(C)(C)OC(=O)N1CCC(Cn2cc(N)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
BACE1 P56817 3/20 0.42
CTSD P07339 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
PIK3CD O00329 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
FAAH O00519 1/20 0.41
USP30 Q70CQ3 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.40

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
SCHEMBL673128 0.93 BACE1 (0.49) TGFBR1ALOX5APFEN1BACE1CTSD
SCHEMBL15645613 0.93 BACE1 (0.48) TGFBR1BACE1KDM4EPKMGPR119
SCHEMBL25193692 0.91 JAK3 (0.43) ALOX5APFEN1BACE1CTSDGPR119
SCHEMBL15939449 0.85 GPR119 (0.46) KDM4EPKMGPR119FAAHBCDIN3D
SCHEMBL16012151 0.84 FAAH (0.50) KDM4EPKMGPR119FAAHBCDIN3D
SCHEMBL31361669 0.82 EPHA2 (0.43) KDM4EGPR119USP30
SCHEMBL16652473 0.82 EPHA2 (0.43) KDM4EGPR119USP30
SCHEMBL16652472 0.82 EPHA2 (0.43) KDM4EGPR119USP30
SCHEMBL15050556 0.82 GPR119 (0.52) BACE1KDM4EPKMGPR119FAAH
SCHEMBL18765124 0.81 FEN1 (0.49) ALOX5APFEN1BACE1CTSDGPR119

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 TGFBR1 1133/4885IDO1 181/4885TDO2 2430/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 TGFBR1 1288/4885IDO1 202/4885TDO2 2278/4885

“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.