SCHEMBL672286

SCHEMBL672286

CN(C)CC(O)Cn1cc(N)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
DNM1 Q05193 5/20 0.40
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MYLK Q15746 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL672054 0.82 MAPT (0.37) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL4515387 0.81 MAPT (0.42) JAK2JAK1TYK2JAK3MAPT
SCHEMBL1703543 0.80 MAPT (0.40) JAK2JAK1TYK2JAK3MAPT
SCHEMBL1703997 0.80 MAPT (0.40) JAK2JAK1TYK2JAK3MAPT
SCHEMBL15973719 0.80 MAPT (0.40) JAK2JAK1TYK2JAK3MAPT
SCHEMBL27958911 0.78 ACHE (0.39) JAK2JAK1JAK3MAPTLMNA
SCHEMBL1662568 0.78 ACHE (0.42) JAK2JAK1TYK2JAK3MAPT
SCHEMBL15894907 0.78 ACHE (0.42) JAK2JAK1TYK2JAK3MAPT
SCHEMBL1703536 0.78 ACHE (0.42) JAK2JAK1TYK2JAK3MAPT
SCHEMBL15651008 0.76 ACHE (0.41) JAK2JAK1TYK2JAK3MAPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
CN-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
WO-2013042006-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. (US) 2013-03-28 WO disclosed
WO-2013042006-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. (US) 2013-03-28 WO disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
CN-102666545-A Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors CELLZOME LTD 2012-09-12 CN 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 (3 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 JAK2 3/4885JAK1 1/4885TYK2 8/4885
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS JAK2 654/4885JAK1 1089/4885TYK2 1219/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS JAK2 654/4885JAK1 1089/4885TYK2 1219/4885

“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.