SCHEMBL671464

SCHEMBL671464

Cn1cc(Nc2ncc3cnn(Cc4cccc(I)c4)c3n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.52
JAK2 O60674 10/20 0.47
JAK1 P23458 6/20 0.46
TYK2 P29597 4/20 0.46
MET P08581 1/20 0.42
CDK19 Q9BWU1 3/20 0.42
ALK Q9UM73 3/20 0.42
IGF1R P08069 3/20 0.41
TTK P33981 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL12797095 0.89 JAK3 (0.53) JAK3JAK2JAK1TYK2MET
SCHEMBL1662508 0.88 JAK3 (0.54) JAK3JAK2JAK1TYK2MET
SCHEMBL12797065 0.88 IGF1R (0.52) JAK3JAK2JAK1TYK2MET
SCHEMBL12797072 0.88 JAK3 (0.52) JAK3JAK2JAK1TYK2MET
SCHEMBL12796231 0.88 JAK3 (0.52) JAK3JAK2JAK1TYK2MET
SCHEMBL672881 0.87 ALK (0.55) JAK3JAK2JAK1TYK2CDK19
SCHEMBL15122444 0.87 IGF1R (0.54) JAK3JAK2JAK1TYK2MET
SCHEMBL1662547 0.86 IGF1R (0.53) JAK3JAK2JAK1TYK2IGF1R
SCHEMBL1662535 0.86 JAK3 (0.55) JAK3JAK2JAK1TYK2CDK19
SCHEMBL12797132 0.86 JAK3 (0.51) JAK3JAK2JAK1TYK2MET

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 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
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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 2/4885JAK2 3/4885JAK1 1/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE 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.