SCHEMBL671528

SCHEMBL671528

O=C1COCCN1c1cc(F)cc(Cn2ncc3cnc(Nc4cnn(C5CCNCC5)c4)nc32)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
CSF1R P07333 1/20 0.42
CDK4 P11802 1/20 0.42
CDK6 Q00534 1/20 0.42
NTRK1 P04629 1/20 0.41
NUAK1 O60285 3/20 0.40
AURKB Q96GD4 2/20 0.40
AURKC Q9UQB9 1/20 0.40
MYLK4 Q86YV6 3/20 0.40
STK17A Q9UEE5 3/20 0.40
STAT6 P42226 2/20 0.39
EIF2AK4 Q9P2K8 5/20 0.38
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
FLT4 P35916 1/20 0.37
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
KDR P35968 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL670314 0.87 NTRK1 (0.41) NTRK1STAT6JAK1JAK3AXL
SCHEMBL1665276 0.87 NTRK1 (0.45) NTRK1STAT6JAK1JAK3
SCHEMBL15122383 0.84 NTRK1 (0.39) NTRK1STAT6JAK1JAK3
SCHEMBL671496 0.84 NTRK1 (0.45) NTRK1STAT6JAK3
SCHEMBL673304 0.83 NTRK1 (0.43) NTRK1STAT6JAK1JAK3
SCHEMBL673270 0.83 NTRK1 (0.41) NTRK1STAT6JAK1JAK3
SCHEMBL673033 0.82 NTRK1 (0.41) NTRK1STAT6JAK1JAK3
SCHEMBL670858 0.82 STAT6 (0.43) NTRK1AURKBSTAT6JAK1JAK3
SCHEMBL15122378 0.82 NTRK1 (0.41) NTRK1STAT6JAK1JAK3
SCHEMBL672591 0.81 NTRK1 (0.39) NTRK1STAT6JAK1JAK3

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 PIK3CD 369/4885CSF1R 988/4885CDK4 281/4885

“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.