SCHEMBL671192

SCHEMBL671192

CN(C)C(=O)CCn1cc(N)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KLKB1 P03952 1/20 0.34
CCNC P24863 3/20 0.33
CDK8 P49336 3/20 0.33
HIF1A Q16665 1/20 0.33
FLT3 P36888 1/20 0.33
MYLK Q15746 1/20 0.33
AURKB Q96GD4 1/20 0.33
CILK1 Q9UPZ9 1/20 0.33
CDK11A Q9UQ88 1/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL15895023 0.91 L3MBTL1 (0.40) PDK2L3MBTL1MAPTLMNAALDH1A1
SCHEMBL1703729 0.83 CCNC (0.45) PDK2MAPTLMNACCNCCDK8
SCHEMBL18712865 0.82 LMNA (0.50) PDK2L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL31313160 0.81 PDK2 (0.45) PDK2L3MBTL1MAPTLMNAALDH1A1
SCHEMBL18390189 0.81 PDK2 (0.45) PDK2L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL23120471 0.80 L3MBTL1 (0.46) PDK2L3MBTL1MAPTLMNAALDH1A1
SCHEMBL28603762 0.80 PDK2 (0.42) PDK2L3MBTL1MAPTLMNAALDH1A1
SCHEMBL18390185 0.79 PDK2 (0.44) PDK2L3MBTL1MAPTLMNAALDH1A1
SCHEMBL18704884 0.79 PDK2 (0.44) PDK2L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL24086668 0.78 PDK2 (0.46) PDK2L3MBTL1LMNAALDH1A1KMT2A

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 PDK2 1327/4885L3MBTL1 3597/4885MAPT 4393/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 PDK2 1139/4885L3MBTL1 3481/4885MAPT 4493/4885

“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.