SCHEMBL2591069

SCHEMBL2591069

FC(F)Cn1cc(Nc2ncc3cn[nH]c3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.48
BTK Q06187 12/20 0.48
PTK2 Q05397 1/20 0.43
FLT4 P35916 1/20 0.42
MAP3K14 Q99558 1/20 0.41
MAP4K1 Q92918 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL673183 0.81 JAK3 (0.47) JAK3FLT4
SCHEMBL1663059 0.76 JAK3 (0.49) JAK3BTKPTK2FLT4
SCHEMBL672922 0.75 JAK1 (0.52) JAK3BTK
SCHEMBL12801969 0.74 LRRK2 (0.39) MAP3K14
SCHEMBL1663056 0.74 JAK3 (0.49) JAK3PTK2FLT4
SCHEMBL12796498 0.72 JAK3 (0.45) JAK3FLT4
SCHEMBL16812379 0.71 JAK3 (0.61) JAK3
SCHEMBL12797172 0.70 JAK3 (0.44) JAK3PTK2FLT4
SCHEMBL12796456 0.70 JAK3 (0.52) JAK3PTK2FLT4
SCHEMBL12795242 0.69 FLT4 (0.46) JAK3PTK2FLT4MAP4K1

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 3 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 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 2/4885BTK 42/4885PTK2 1029/4885

“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.