SCHEMBL2582400

SCHEMBL2582400

N#CCCN1CCCC(Cn2ncc3cnc(Nc4cnn(CC(F)F)c4)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.43
JAK2 O60674 7/20 0.38
JAK1 P23458 6/20 0.38
TYK2 P29597 4/20 0.38
STAT3 P40763 3/20 0.38
ABL1 P00519 1/20 0.38
KDR P35968 1/20 0.38
GSK3B P49841 1/20 0.38
AURKB Q96GD4 1/20 0.38
TBK1 Q9UHD2 2/20 0.37
IKBKE Q14164 1/20 0.37
BTK Q06187 6/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL2586753 0.92 JAK3 (0.42) JAK3JAK2JAK1STAT3ABL1
SCHEMBL12174891 0.88 JAK2 (0.49) JAK3JAK2JAK1TYK2STAT3
SCHEMBL12174929 0.83 JAK3 (0.40) JAK3JAK2JAK1TYK2STAT3
SCHEMBL14958023 0.83 JAK2 (0.48) JAK3JAK2JAK1TYK2STAT3
SCHEMBL12174884 0.81 JAK3 (0.44) JAK3JAK2JAK1AURKBBTK
SCHEMBL12174897 0.80 JAK2 (0.48) JAK3JAK2JAK1TYK2STAT3
SCHEMBL14958115 0.80 JAK3 (0.43) JAK3JAK2JAK1TYK2AURKB
SCHEMBL12174928 0.79 JAK2 (0.49) JAK3JAK2JAK1TYK2STAT3
SCHEMBL2589717 0.77 JAK3 (0.46) JAK3JAK2JAK1TYK2TBK1
SCHEMBL14957925 0.77 JAK3 (0.46) JAK3JAK2JAK1TYK2BTK

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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US claimed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP claimed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 WO claimed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP disclosed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 1/4885

“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.