SCHEMBL1662838

SCHEMBL1662838

Cn1cc(Nc2ncc3cnn(Cc4c(F)cccc4NS(C)(=O)=O)c3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.48
JAK1 P23458 10/20 0.48
JAK2 O60674 7/20 0.48
BRAF P15056 1/20 0.45
ALK Q9UM73 1/20 0.44
TYK2 P29597 7/20 0.43
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNB2 O95067 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
GLO1 Q04760 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
AURKA O14965 1/20 0.40
WEE1 P30291 1/20 0.40

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 0.89 JAK3 (0.53) JAK3JAK1JAK2ALKTYK2
SCHEMBL1662625 0.85 ALK (0.49) JAK3JAK1JAK2BRAFALK
SCHEMBL12797155 0.85 JAK3 (0.50) JAK3JAK1JAK2ALKTYK2
SCHEMBL12796248 0.84 JAK1 (0.51) JAK3JAK1JAK2ALKTYK2
SCHEMBL12796454 0.83 JAK3 (0.55) JAK3JAK1JAK2ALKTYK2
SCHEMBL12797170 0.83 LRRK2 (0.49) JAK3JAK1JAK2TYK2
SCHEMBL1665150 0.83 JAK3 (0.58) JAK3JAK1JAK2ALKTYK2
SCHEMBL12796414 0.82 JAK3 (0.46) JAK3JAK1JAK2BRAFALK
SCHEMBL12797293 0.80 JAK3 (0.49) JAK3JAK1JAK2BRAFALK
SCHEMBL12797285 0.80 JAK1 (0.50) JAK3JAK1JAK2ALKTYK2

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-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
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
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 JAK3 2/4885JAK1 1/4885JAK2 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.