SCHEMBL12801909

SCHEMBL12801909

Cn1cc(Nc2ncc3cnn(Cc4cccc(N5CCOC(F)C5)c4)c3n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.44
STAT6 P42226 2/20 0.41
JAK2 O60674 12/20 0.39
JAK1 P23458 8/20 0.38
TYK2 P29597 8/20 0.38
HDAC6 Q9UBN7 4/20 0.37
HDAC1 Q13547 2/20 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
SCHEMBL12801981 0.91 JAK3 (0.46) JAK3STAT6JAK2JAK1TYK2
SCHEMBL27869386 0.90 JAK3 (0.48) JAK3STAT6JAK2JAK1TYK2
SCHEMBL1662524 0.88 STAT6 (0.51) JAK3STAT6JAK2JAK1HDAC6
SCHEMBL12796127 0.84 JAK3 (0.46) JAK3JAK2JAK1TYK2
SCHEMBL10204067 0.84 JAK3 (0.49) JAK3STAT6JAK2JAK1TYK2
SCHEMBL672851 0.84 JAK3 (0.49) JAK3STAT6JAK2JAK1TYK2
SCHEMBL672656 0.84 JAK3 (0.46) JAK3STAT6JAK2JAK1TYK2
SCHEMBL671512 0.83 JAK3 (0.46) JAK3STAT6JAK2JAK1TYK2
SCHEMBL671882 0.83 JAK3 (0.50) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL12802123 0.82 JAK3 (0.44) JAK3STAT6JAK2JAK1TYK2

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 2 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-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 2/4885STAT6 36/4885JAK2 3/4885

“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.