SCHEMBL672210

SCHEMBL672210

Cn1cc(Nc2ncc3cnn(Cc4cc(F)cc(N5CCNCC5)c4)c3n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 8/20 0.54
JAK3 P52333 5/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
CDK4 P11802 5/20 0.39
CCND1 P24385 5/20 0.39
CCND2 P30279 2/20 0.39
CCND3 P30281 2/20 0.39
NOS2 P35228 1/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
FLT3 P36888 1/20 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
SCHEMBL671179 0.90 STAT6 (0.54) STAT6JAK3CDK4CCND1CCND2
SCHEMBL15122400 0.89 STAT6 (0.52) STAT6JAK3JAK2JAK1TYK2
SCHEMBL1662981 0.88 STAT6 (0.43) STAT6JAK3JAK2JAK1TYK2
SCHEMBL12796380 0.87 STAT6 (0.47) STAT6JAK3JAK2JAK1TYK2
SCHEMBL672966 0.87 JAK3 (0.48) STAT6JAK3JAK2JAK1TYK2
SCHEMBL10204074 0.85 STAT6 (0.43) STAT6JAK3JAK2JAK1TYK2
SCHEMBL1665411 0.84 STAT6 (0.42) STAT6JAK3JAK2JAK1TYK2
SCHEMBL671476 0.84 STAT6 (0.41) STAT6JAK3JAK2JAK1TYK2
SCHEMBL10205377 0.83 STAT6 (0.43) STAT6JAK3JAK2JAK1TYK2
SCHEMBL12802026 0.82 CCND3 (0.44) STAT6JAK3JAK2JAK1CDK4

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 STAT6 36/4885JAK3 2/4885JAK2 3/4885

“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.