SCHEMBL672831

SCHEMBL672831

CN(C)CCCn1cc(Nc2ncc3cnn(Cc4cccc(N)c4F)c3n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.50
JAK3 P52333 13/20 0.50
JAK1 P23458 9/20 0.50
HDAC6 Q9UBN7 10/20 0.45
TYK2 P29597 6/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC3 O15379 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
EGFR P00533 1/20 0.41
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39

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
SCHEMBL12801927 0.90 JAK2 (0.48) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12797130 0.88 JAK2 (0.57) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12797123 0.86 JAK3 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL672122 0.84 JAK2 (0.44) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL1663667 0.82 JAK2 (0.43) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12797011 0.80 JAK2 (0.47) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12797296 0.79 JAK3 (0.47) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12795982 0.79 JAK3 (0.59) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12796001 0.79 JAK3 (0.50) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12797041 0.78 JAK3 (0.49) JAK2JAK3JAK1HDAC6TYK2

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 JAK2 3/4885JAK3 2/4885JAK1 1/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK2 3/4885JAK3 2/4885JAK1 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.