SCHEMBL673361

SCHEMBL673361

Cn1cc(Nc2ncc3cnn(Cc4cc(F)cc(Br)c4)c3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.42
STAT6 P42226 4/20 0.42
ALK Q9UM73 7/20 0.41
CDK19 Q9BWU1 5/20 0.41
LRRK2 Q5S007 1/20 0.40
JAK2 O60674 5/20 0.40
JAK1 P23458 4/20 0.40
TYK2 P29597 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
BRAF P15056 1/20 0.39
CDC7 O00311 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL12796380 0.93 STAT6 (0.47) JAK3STAT6ALKCDK19LRRK2
SCHEMBL15122389 0.87 JAK3 (0.41) JAK3STAT6ALKLRRK2JAK2
SCHEMBL672233 0.87 JAK3 (0.47) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12797103 0.86 LMNA (0.45) JAK3STAT6ALKCDK19LRRK2
SCHEMBL12801952 0.85 JAK3 (0.41) JAK3STAT6JAK2JAK1TYK2
SCHEMBL12796231 0.85 JAK3 (0.52) JAK3STAT6ALKCDK19JAK2
SCHEMBL12797347 0.84 JAK3 (0.47) JAK3STAT6ALKCDK19LRRK2
SCHEMBL673325 0.83 ALK (0.41) JAK3ALKCDK19LRRK2JAK2
SCHEMBL672210 0.82 STAT6 (0.54) JAK3STAT6JAK2JAK1TYK2
SCHEMBL671179 0.82 STAT6 (0.54) JAK3STAT6SYKRPS6KA3

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 6 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 disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 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 (2 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 JAK3 2/4885STAT6 36/4885ALK 1762/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885STAT6 36/4885ALK 1902/4885

“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.