SCHEMBL1665614

SCHEMBL1665614

Cc1nn(CC(F)F)cc1Nc1ncc2cnn(Cc3ccccc3C#N)c2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 10/20 0.44
LRRK2 Q5S007 8/20 0.42
CYP1A2 P05177 3/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
NPBWR1 P48145 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
SCHEMBL12959676 0.94 LRRK2 (0.41) MAP3K14LRRK2CYP1A2JAK2JAK1
SCHEMBL12797175 0.90 MAP3K14 (0.45) MAP3K14LRRK2CYP1A2JAK2JAK1
SCHEMBL12801929 0.90 LRRK2 (0.44) MAP3K14LRRK2CYP1A2JAK2JAK1
SCHEMBL1663154 0.89 MAP3K14 (0.40) MAP3K14LRRK2JAK2JAK1JAK3
SCHEMBL12801967 0.88 LRRK2 (0.41) LRRK2CYP1A2JAK2JAK1JAK3
SCHEMBL12796990 0.87 LRRK2 (0.36) MAP3K14LRRK2CYP1A2JAK2JAK1
SCHEMBL12802046 0.86 LRRK2 (0.41) MAP3K14LRRK2CYP1A2JAK2JAK1
SCHEMBL1665604 0.86 LRRK2 (0.48) LRRK2CYP1A2JAK2JAK1JAK3
SCHEMBL12797358 0.85 LRRK2 (0.38) MAP3K14LRRK2CYP1A2JAK2JAK3
SCHEMBL1663300 0.84 JAK2 (0.47) MAP3K14JAK2JAK1JAK3

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 8 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
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP claimed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO claimed
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
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP 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 MAP3K14 189/4885LRRK2 2904/4885CYP1A2 592/4885

“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.