SCHEMBL17546641

SCHEMBL17546641

ClN1CCC[C@H](Oc2ncnc3[nH]ccc23)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.68
JAK1 P23458 2/20 0.48
JAK2 O60674 1/20 0.48
DOT1L Q8TEK3 2/20 0.47
AKT2 P31751 2/20 0.42
GSK3B P49841 2/20 0.42
KIT P10721 1/20 0.42
TRPA1 O75762 1/20 0.42
LCK P06239 1/20 0.41
HPGDS O60760 1/20 0.41
PBK Q96KB5 1/20 0.41

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
SCHEMBL3532381 0.82 JAK3 (1.00) JAK3JAK1JAK2TRPA1HPGDS
SCHEMBL15856566 0.81 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL17545940 0.77 JAK1 (0.57) JAK3JAK1JAK2
SCHEMBL17545945 0.76 JAK3 (0.73) JAK3JAK1JAK2TRPA1HPGDS
SCHEMBL20183342 0.75 JAK3 (0.76) JAK3JAK1JAK2AKT2GSK3B
SCHEMBL1980392 0.74 JAK3 (0.74) JAK3JAK1JAK2TRPA1HPGDS
SCHEMBL18419031 0.74 BTK (0.69)
SCHEMBL15856585 0.73 JAK3 (0.51) JAK3JAK1JAK2
SCHEMBL20183344 0.72 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL17545928 0.71 BTK (0.71)

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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK JAK3 154/4885JAK1 120/4885JAK2 127/4885

“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.