SCHEMBL673270

SCHEMBL673270

CNCCCn1cc(Nc2ncc3cnn(Cc4cc(F)cc(N5CCOCC5=O)c4)c3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
JAK3 P52333 9/20 0.40
STAT6 P42226 7/20 0.40
JAK2 O60674 7/20 0.38
HDAC6 Q9UBN7 4/20 0.38
JAK1 P23458 4/20 0.38
HDAC1 Q13547 3/20 0.38
TYK2 P29597 2/20 0.38
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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) NTRK1JAK3STAT6JAK2HDAC6
SCHEMBL1665276 0.90 NTRK1 (0.45) NTRK1JAK3STAT6JAK2JAK1
SCHEMBL673033 0.89 NTRK1 (0.41) NTRK1JAK3STAT6JAK2HDAC6
SCHEMBL670858 0.89 STAT6 (0.43) NTRK1JAK3STAT6JAK2HDAC6
SCHEMBL672591 0.85 NTRK1 (0.39) NTRK1JAK3STAT6JAK2HDAC6
SCHEMBL15122368 0.85 NTRK1 (0.40) NTRK1JAK3STAT6JAK2HDAC6
SCHEMBL671528 0.83 PIK3CD (0.42) NTRK1JAK3STAT6JAK1
SCHEMBL670314 0.83 NTRK1 (0.41) NTRK1JAK3STAT6JAK2HDAC6
SCHEMBL15122378 0.83 NTRK1 (0.41) NTRK1JAK3STAT6JAK2HDAC6
SCHEMBL15122383 0.83 NTRK1 (0.39) NTRK1JAK3STAT6JAK2HDAC6

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 7 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
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
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 4682/4885JAK3 2/4885STAT6 36/4885

“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.