SCHEMBL12801913

SCHEMBL12801913

Cn1cc(Nc2ncc3cnn(-c4ccc(S(N)(=O)=O)cc4)c3n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 11/20 0.53
CDK2 P24941 11/20 0.53
CDK1 P06493 10/20 0.53
CCNT1 O60563 9/20 0.53
CDK5R1 Q15078 9/20 0.53
CCNE1 P24864 9/20 0.53
CCNB1 P14635 7/20 0.53
CDK5 Q00535 7/20 0.53
CCNB2 O95067 6/20 0.53
CCNB3 Q8WWL7 6/20 0.53
CCNE2 O96020 6/20 0.53
EIF2AK4 Q9P2K8 1/20 0.52
ALK Q9UM73 4/20 0.46
CDK7 P50613 5/20 0.46
CDK4 P11802 3/20 0.46
CCNA2 P20248 3/20 0.46
CCND1 P24385 3/20 0.46
CCND3 P30281 3/20 0.46
CDK3 Q00526 3/20 0.46
CDK6 Q00534 3/20 0.46

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
SCHEMBL12802007 0.90 EIF2AK4 (0.53) CDK9CDK2CDK1CCNT1CDK5R1
SCHEMBL12797028 0.88 EIF2AK4 (0.51) CDK9CDK2CDK1CCNT1CDK5R1
SCHEMBL1662594 0.88 CDK2 (0.54) CDK9CDK2CDK1CCNT1CDK5R1
SCHEMBL1662621 0.85 EIF2AK4 (0.52) CDK9CDK2CDK1CCNT1CDK5R1
SCHEMBL12801973 0.85 EIF2AK4 (0.55) CDK9CDK2CDK1CCNT1CDK5R1
SCHEMBL12801962 0.84 CDK2 (0.46) CDK9CDK2CDK1CCNT1CDK5R1
SCHEMBL12797139 0.83 EIF2AK4 (0.48) CDK9CDK2CCNE1EIF2AK4ALK
SCHEMBL12797314 0.83 EIF2AK4 (0.56) CDK9CDK2EIF2AK4ALKCDK7
SCHEMBL12796009 0.83 EIF2AK4 (0.56) CDK9CDK2EIF2AK4ALKCDK7
SCHEMBL2585171 0.83 EIF2AK4 (0.55) CDK9CDK2EIF2AK4ALKCDK7

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
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

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 CDK9 130/4885CDK2 198/4885CDK1 30/4885

“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.