SCHEMBL1664808

SCHEMBL1664808

Cn1cc(Nc2ncc3cnn(Cc4ccccc4NS(=O)(=O)CC(F)(F)F)c3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.43
FLT4 P35916 6/20 0.43
ALK Q9UM73 2/20 0.43
KDR P35968 2/20 0.43
AURKB Q96GD4 1/20 0.43
JAK1 P23458 9/20 0.42
JAK3 P52333 9/20 0.42
TYK2 P29597 6/20 0.42
JAK2 O60674 5/20 0.41
PTK2 Q05397 1/20 0.40
CDK19 Q9BWU1 1/20 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
SCHEMBL1662625 0.87 ALK (0.49) BRAFFLT4ALKJAK1JAK3
SCHEMBL12796438 0.87 ALK (0.45) FLT4ALKKDRJAK1JAK3
SCHEMBL12796241 0.82 LRRK2 (0.52) FLT4ALKKDRAURKBJAK1
SCHEMBL12797285 0.80 JAK1 (0.50) FLT4ALKJAK1JAK3TYK2
SCHEMBL12797104 0.79 JAK3 (0.48) FLT4ALKKDRJAK1JAK3
SCHEMBL12797326 0.79 JAK3 (0.48) FLT4ALKKDRAURKBJAK1
SCHEMBL12795348 0.79 JAK3 (0.52) FLT4ALKKDRJAK1JAK3
SCHEMBL12795222 0.79 CDK19 (0.54) FLT4ALKKDRJAK1JAK3
SCHEMBL12796992 0.79 JAK3 (0.47) FLT4ALKKDRJAK1JAK3
SCHEMBL12795327 0.79 JAK3 (0.47) FLT4ALKKDRJAK1JAK3

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 9 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
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP claimed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO 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-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
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 (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 BRAF 243/4885FLT4 2450/4885ALK 1762/4885

“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.