SCHEMBL672591

SCHEMBL672591

O=C1COCCN1c1cc(F)cc(Cn2ncc3cnc(Nc4cnn(CCS(=O)(=O)NC5CC5)c4)nc32)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.39
STAT6 P42226 6/20 0.38
JAK3 P52333 8/20 0.36
JAK2 O60674 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 2/20 0.35
HDAC1 Q13547 2/20 0.35
PTGS2 P35354 1/20 0.32
BRAF P15056 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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 0.87 NTRK1 (0.43) NTRK1STAT6JAK3JAK2HDAC6
SCHEMBL673033 0.85 NTRK1 (0.41) NTRK1STAT6JAK3JAK2HDAC6
SCHEMBL673270 0.85 NTRK1 (0.41) NTRK1STAT6JAK3JAK2HDAC6
SCHEMBL1665276 0.85 NTRK1 (0.45) NTRK1STAT6JAK3JAK2JAK1
SCHEMBL670858 0.82 STAT6 (0.43) NTRK1STAT6JAK3JAK2HDAC6
SCHEMBL670314 0.82 NTRK1 (0.41) NTRK1STAT6JAK3JAK2HDAC6
SCHEMBL671528 0.81 PIK3CD (0.42) NTRK1STAT6JAK3JAK1
SCHEMBL15122378 0.81 NTRK1 (0.41) NTRK1STAT6JAK3JAK2HDAC6
SCHEMBL15122368 0.80 NTRK1 (0.40) NTRK1STAT6JAK3JAK2HDAC6
SCHEMBL15122383 0.80 NTRK1 (0.39) NTRK1STAT6JAK3JAK2HDAC6

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 4682/4885STAT6 36/4885JAK3 2/4885

“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.