SCHEMBL1662611

SCHEMBL1662611

Nc1cnn(CCC2CCOCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 3/20 0.34
JAK2 O60674 2/20 0.34
BAZ2A Q9UIF9 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
STAT3 P40763 1/20 0.34
IKBKE Q14164 4/20 0.34
TBK1 Q9UHD2 4/20 0.34
TLR7 Q9NYK1 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CNR1 P21554 1/20 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
SCHEMBL16593759 0.84 LRRK2 (0.41) JAK3MAPTLMNAALDH1A1PKM
SCHEMBL23036822 0.82 GABRA1 (0.38) JAK3LIPCLIPGBRD4JAK2
SCHEMBL15147547 0.81 HRH3 (0.39) JAK3MAPTLMNAALDH1A1PKM
SCHEMBL21453736 0.81 JAK3 (0.39) JAK3LMNALIPCLIPGALDH1A1
Hydrochloric Acid SCHEMBL21492957 0.81 GABRA1 (0.37) JAK3LIPCLIPGBRD4JAK2
SCHEMBL21566466 0.79 LIPC (0.36) JAK3LIPCLIPGBRD4JAK2
SCHEMBL21419214 0.79 LIPC (0.36) JAK3LIPCLIPGBRD4JAK2
SCHEMBL14764016 0.78 SCD (0.43) JAK3MAPTLMNAALDH1A1PKM
Hydrochloric Acid SCHEMBL28516962 0.78 JAK3 (0.44) JAK3LIPCLIPGBRD4JAK2
SCHEMBL15939993 0.76 L3MBTL1 (0.36) JAK3ALDH1A1PKML3MBTL1JAK2

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-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US 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-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 (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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885MAPT 4393/4885LMNA 4606/4885

“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.