SCHEMBL12797397

SCHEMBL12797397

COc1nn(CC(F)F)cc1Nc1ncc2cnn(Cc3cc(F)ccc3F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.38
PIK3CG P48736 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
JAK3 P52333 3/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
LRRK2 Q5S007 3/20 0.35
ROCK2 O75116 5/20 0.34
P2RX7 Q99572 1/20 0.34
USP1 O94782 1/20 0.34
MAP3K14 Q99558 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL12797050 0.90 JAK3 (0.44) TTKJAK3JAK2JAK1LRRK2
SCHEMBL12959686 0.90 TTK (0.35) TTKPIK3CGPIK3CDPIK3CAJAK3
SCHEMBL12797396 0.90 MAP3K14 (0.40) TTKPIK3CGPIK3CDPIK3CAJAK3
SCHEMBL12796465 0.89 MAP3K14 (0.38) TTKJAK3JAK2JAK1LRRK2
SCHEMBL12797299 0.85 JAK3 (0.35) TTKPIK3CGPIK3CDPIK3CAJAK3
SCHEMBL12795371 0.84 JAK3 (0.40) TTKJAK3LRRK2P2RX7USP1
SCHEMBL1663154 0.83 MAP3K14 (0.40) TTKJAK3JAK2JAK1LRRK2
SCHEMBL12797294 0.82 JAK3 (0.39) JAK3JAK2JAK1
SCHEMBL12797352 0.81 JAK3 (0.48) JAK3JAK2JAK1
SCHEMBL12797055 0.79 JAK3 (0.41) JAK3JAK2JAK1LRRK2P2RX7

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-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-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
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 TTK 844/4885PIK3CG 452/4885PIK3CD 385/4885

“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.