SCHEMBL12797013

SCHEMBL12797013

Cn1cc(Nc2ncc3cnn(-c4ccc(NS(C)(=O)=O)cn4)c3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.48
CCNB1 P14635 3/20 0.48
AURKA O14965 2/20 0.48
JAK1 P23458 10/20 0.46
JAK2 O60674 9/20 0.46
TYK2 P29597 7/20 0.46
JAK3 P52333 6/20 0.46
ALK Q9UM73 4/20 0.45
FLT3 P36888 3/20 0.42
AURKB Q96GD4 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.41
CCNB2 O95067 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB3 Q8WWL7 2/20 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

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
SCHEMBL1662621 0.88 EIF2AK4 (0.52) CDK1CCNB1AURKAJAK1JAK2
SCHEMBL12795999 0.85 ALK (0.45) CDK1CCNB1AURKAJAK1JAK2
SCHEMBL12802007 0.78 EIF2AK4 (0.53) CDK1CCNB1AURKAJAK1JAK2
SCHEMBL12801913 0.75 CDK9 (0.53) CDK1CCNB1JAK1JAK2TYK2
SCHEMBL12796009 0.75 EIF2AK4 (0.56) JAK1JAK2TYK2JAK3ALK
SCHEMBL12801972 0.75 EIF2AK4 (0.49) CDK1CCNB1AURKAJAK1JAK2
SCHEMBL12796454 0.75 JAK3 (0.55) JAK1JAK2TYK2JAK3ALK
SCHEMBL2585171 0.74 EIF2AK4 (0.55) JAK1JAK2TYK2JAK3ALK
SCHEMBL12797028 0.74 EIF2AK4 (0.51) CDK1CCNB1AURKAJAK1JAK2
SCHEMBL1662625 0.73 ALK (0.49) CDK1CCNB1AURKAJAK1JAK2

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 CDK1 30/4885CCNB1 1107/4885AURKA 965/4885

“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.