SCHEMBL12801965

SCHEMBL12801965

Cn1cc(Nc2ncc3cnn(Cc4cc(F)ccc4C#N)c3n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.47
JAK2 O60674 9/20 0.47
JAK1 P23458 9/20 0.47
MAPK6 Q16659 1/20 0.44
TYK2 P29597 6/20 0.42
TBK1 Q9UHD2 2/20 0.42
MAP3K14 Q99558 1/20 0.40
LRRK2 Q5S007 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
ALK Q9UM73 1/20 0.39
STAT3 P40763 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRAF P15056 1/20 0.37

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
SCHEMBL1662980 0.88 JAK3 (0.46) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL1662879 0.87 JAK3 (0.46) JAK3JAK2JAK1TYK2TBK1
SCHEMBL1662582 0.87 JAK3 (0.45) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL12796046 0.86 JAK3 (0.49) JAK3JAK2JAK1MAPK6TYK2
SCHEMBL12796004 0.86 JAK3 (0.44) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL12795195 0.86 CDK19 (0.45) JAK3JAK2JAK1TYK2CDK19
SCHEMBL12796002 0.85 JAK3 (0.45) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL1663124 0.85 JAK3 (0.44) JAK3JAK2JAK1TYK2TBK1
SCHEMBL12795324 0.85 JAK3 (0.53) JAK3JAK2JAK1TYK2TBK1
SCHEMBL14676283 0.83 JAK3 (0.40) JAK3JAK2JAK1MAPK6TYK2

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 claimed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US 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-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
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US 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 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.