SCHEMBL12797170

SCHEMBL12797170

Cn1cc(Nc2ncc3cnn(Cc4c(F)cccc4C(F)(F)F)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.49
JAK3 P52333 14/20 0.48
JAK1 P23458 12/20 0.48
JAK2 O60674 9/20 0.48
TYK2 P29597 6/20 0.46
KDR P35968 2/20 0.46
AURKB Q96GD4 2/20 0.46
FLT4 P35916 2/20 0.42
MAP4K1 Q92918 1/20 0.41

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
SCHEMBL12795971 0.91 JAK3 (0.53) LRRK2JAK3JAK1JAK2TYK2
SCHEMBL12797155 0.87 JAK3 (0.50) LRRK2JAK3JAK1JAK2TYK2
SCHEMBL12797497 0.87 JAK3 (0.61) JAK3JAK1JAK2TYK2
SCHEMBL12796248 0.87 JAK1 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL12796241 0.85 LRRK2 (0.52) LRRK2JAK3JAK1JAK2TYK2
SCHEMBL1665150 0.85 JAK3 (0.58) JAK3JAK1JAK2TYK2
SCHEMBL12796414 0.84 JAK3 (0.46) LRRK2JAK3JAK1JAK2TYK2
SCHEMBL1662838 0.83 JAK3 (0.48) JAK3JAK1JAK2TYK2
SCHEMBL12797293 0.82 JAK3 (0.49) JAK3JAK1JAK2TYK2
SCHEMBL12797285 0.82 JAK1 (0.50) JAK3JAK1JAK2TYK2FLT4

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-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US claimed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US claimed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 LRRK2 2904/4885JAK3 2/4885JAK1 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.