SCHEMBL672349

SCHEMBL672349

OCCn1cc(Nc2ncc3cnn(Cc4cc(F)cc(N5CCNCC5)c4F)c3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.43
JAK2 O60674 8/20 0.43
JAK1 P23458 7/20 0.43
STAT6 P42226 1/20 0.42
AXL P30530 5/20 0.40
TYRO3 Q06418 5/20 0.40
MERTK Q12866 4/20 0.40
FGFR3 P22607 3/20 0.40
KCNH2 Q12809 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
TYK2 P29597 5/20 0.39
HDAC6 Q9UBN7 3/20 0.37
HDAC1 Q13547 2/20 0.37

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
SCHEMBL10205377 0.89 STAT6 (0.43) JAK3JAK2JAK1STAT6FGFR3
SCHEMBL10203613 0.89 JAK3 (0.42) JAK3JAK2JAK1STAT6AXL
SCHEMBL12797328 0.87 JAK3 (0.42) JAK3JAK2JAK1STAT6AXL
SCHEMBL672447 0.87 JAK2 (0.43) JAK3JAK2JAK1STAT6AXL
SCHEMBL15122400 0.85 STAT6 (0.52) JAK3JAK2JAK1STAT6AXL
SCHEMBL12797343 0.84 JAK3 (0.46) JAK3JAK2JAK1STAT6FGFR3
SCHEMBL671638 0.82 JAK3 (0.40) JAK3JAK2JAK1FGFR3FGFR1
SCHEMBL671917 0.80 JAK3 (0.41) JAK3JAK2JAK1AXLTYRO3
SCHEMBL672111 0.80 JAK3 (0.42) JAK3JAK2JAK1STAT6AXL
SCHEMBL12797037 0.80 JAK3 (0.63) JAK3JAK2JAK1FGFR3FGFR1

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 9 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-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 JAK3 2/4885JAK2 3/4885JAK1 1/4885

“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.