SCHEMBL12801928

SCHEMBL12801928

N#Cc1ccccc1Cn1ncc2cnc(Nc3cn[nH]c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.39
JAK1 P23458 4/20 0.39
JAK2 O60674 4/20 0.39
JAK3 P52333 4/20 0.39
PTK2 Q05397 2/20 0.38
CSNK2A1 P68400 4/20 0.38
FLT4 P35916 4/20 0.37
KDR P35968 4/20 0.37
MAP4K4 O95819 1/20 0.36
BUB1 O43683 1/20 0.36
TYK2 P29597 2/20 0.36
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
CDK1 P06493 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
SCHEMBL1662410 0.85 STAT6 (0.43) JAK1JAK2JAK3FLT4KDR
SCHEMBL12796158 0.85 FLT4 (0.40) JAK1JAK2JAK3PTK2FLT4
SCHEMBL1665827 0.83 JAK3 (0.39) NPBWR1JAK1JAK2JAK3PTK2
SCHEMBL1662879 0.82 JAK3 (0.46) JAK1JAK2JAK3FLT4KDR
SCHEMBL12801987 0.82 AURKA (0.48) NPBWR1JAK1JAK2JAK3PTK2
SCHEMBL12801944 0.80 JAK3 (0.59) JAK1JAK2JAK3TYK2
SCHEMBL12801916 0.79 JAK2 (0.49) JAK1JAK2JAK3FLT4TYK2
SCHEMBL12802000 0.79 JAK2 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL12806721 0.79 JAK3 (0.56) JAK1JAK2JAK3FLT4TYK2
SCHEMBL12801984 0.78 JAK2 (0.47) JAK1JAK2JAK3TYK2

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 NPBWR1 2415/4885JAK1 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.