SCHEMBL17545940

SCHEMBL17545940

CC(C)(C)OC(=O)N1CCC[C@H](Oc2ncnc3[nH]ccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.57
JAK2 O60674 3/20 0.57
JAK3 P52333 5/20 0.56
PIK3CD O00329 12/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.52
PIK3CG P48736 2/20 0.52
TYK2 P29597 2/20 0.49

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
SCHEMBL20183390 0.88 JAK3 (0.57) JAK1JAK2JAK3PIK3CDPIK3CA
SCHEMBL20183351 0.85 JAK1 (0.55) JAK1JAK2JAK3TYK2
SCHEMBL28345574 0.83 JAK1 (0.70) JAK1JAK2JAK3TYK2
SCHEMBL30208811 0.80 JAK3 (0.69) JAK1JAK2JAK3
SCHEMBL16765396 0.80 JAK3 (0.69) JAK1JAK2JAK3
SCHEMBL14697253 0.80 JAK3 (0.62) JAK1JAK2JAK3TYK2
SCHEMBL16765395 0.80 JAK3 (0.69) JAK1JAK2JAK3
SCHEMBL18419749 0.79 JAK1 (0.55) JAK1JAK2JAK3TYK2
SCHEMBL13960903 0.79 JAK3 (0.60) JAK1JAK2JAK3TYK2
SCHEMBL15856585 0.79 JAK3 (0.51) JAK1JAK2JAK3TYK2

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 3 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-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 JAK1 120/4885JAK2 127/4885JAK3 154/4885

“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.