SCHEMBL673033

SCHEMBL673033

N#CCCn1cc(Nc2ncc3cnn(Cc4cc(F)cc(N5CCOCC5=O)c4)c3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
JAK2 O60674 13/20 0.41
TYK2 P29597 12/20 0.41
JAK3 P52333 10/20 0.41
JAK1 P23458 9/20 0.41
STAT3 P40763 5/20 0.41
STAT6 P42226 3/20 0.40
HDAC6 Q9UBN7 3/20 0.37
HDAC1 Q13547 2/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL673304 0.91 NTRK1 (0.43) NTRK1JAK2TYK2JAK3JAK1
SCHEMBL673270 0.89 NTRK1 (0.41) NTRK1JAK2TYK2JAK3JAK1
SCHEMBL1665276 0.88 NTRK1 (0.45) NTRK1JAK2JAK3JAK1STAT6
SCHEMBL14675807 0.87 NTRK1 (0.35) NTRK1JAK2TYK2JAK3JAK1
SCHEMBL670858 0.86 STAT6 (0.43) NTRK1JAK2TYK2JAK3JAK1
SCHEMBL672591 0.85 NTRK1 (0.39) NTRK1JAK2TYK2JAK3JAK1
SCHEMBL15122378 0.84 NTRK1 (0.41) NTRK1JAK2TYK2JAK3JAK1
SCHEMBL15122368 0.84 NTRK1 (0.40) NTRK1JAK2TYK2JAK3JAK1
SCHEMBL670314 0.83 NTRK1 (0.41) NTRK1JAK2TYK2JAK3JAK1
SCHEMBL15122383 0.83 NTRK1 (0.39) NTRK1JAK2TYK2JAK3JAK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US claimed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP claimed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO claimed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 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
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 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
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 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-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 NTRK1 4682/4885JAK2 3/4885TYK2 6/4885

“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.