SCHEMBL12795348

SCHEMBL12795348

CC(C)c1ccccc1Cn1ncc2cnc(Nc3cnn(C)c3)nc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.52
JAK1 P23458 9/20 0.52
FLT4 P35916 5/20 0.49
KDR P35968 1/20 0.49
TYK2 P29597 5/20 0.45
JAK2 O60674 5/20 0.45
ALK Q9UM73 5/20 0.44
CDK19 Q9BWU1 4/20 0.44

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
SCHEMBL12797104 0.86 JAK3 (0.48) JAK3JAK1FLT4KDRTYK2
SCHEMBL12795222 0.85 CDK19 (0.54) JAK3JAK1FLT4KDRTYK2
SCHEMBL12795327 0.85 JAK3 (0.47) JAK3JAK1FLT4KDRTYK2
SCHEMBL12796992 0.85 JAK3 (0.47) JAK3JAK1FLT4KDRTYK2
SCHEMBL12797285 0.85 JAK1 (0.50) JAK3JAK1FLT4TYK2JAK2
SCHEMBL12797282 0.84 JAK3 (0.52) JAK3JAK1FLT4KDRTYK2
SCHEMBL12797293 0.84 JAK3 (0.49) JAK3JAK1TYK2JAK2ALK
SCHEMBL12797066 0.84 JAK3 (0.59) JAK3JAK1TYK2JAK2ALK
SCHEMBL12796030 0.83 JAK1 (0.49) JAK3JAK1FLT4KDRTYK2
SCHEMBL1662879 0.83 JAK3 (0.46) JAK3JAK1FLT4KDRTYK2

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
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
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 JAK3 2/4885JAK1 1/4885FLT4 2450/4885

“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.