SCHEMBL17476830

SCHEMBL17476830

CC(n1cc(I)cn1)C(C)(C)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.33
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31
TTK P33981 1/20 0.30

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
SCHEMBL17476832 1.00 ACHE (0.33) ACHEIDH1IDH2TTK
SCHEMBL17476829 1.00 ACHE (0.33) ACHEIDH1IDH2TTK
SCHEMBL21995617 0.78 ACHE (0.33) ACHETTK
SCHEMBL21995619 0.78 ACHE (0.33) ACHETTK
SCHEMBL21995811 0.78 ACHE (0.33) ACHETTK
SCHEMBL29475912 0.78 ACHE (0.33) ACHETTK
SCHEMBL21979470 0.76
SCHEMBL1365662 0.76
SCHEMBL17476836 0.75 JAK2 (0.36) ACHEIDH1IDH2
SCHEMBL17476841 0.75 JAK2 (0.36) ACHEIDH1IDH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688680-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2017-06-27 US disclosed
US-9688680-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2017-06-27 US disclosed
US-9688680-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2017-06-27 US disclosed
WO-2016022569-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2016-02-11 WO disclosed
WO-2016022569-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2016-02-11 WO disclosed
US-20160031892-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2016-02-04 US disclosed
US-20160031892-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2016-02-04 US disclosed
US-20160031892-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2016-02-04 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-20160031892-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B ACHE 1484/4885IDH1 937/4885IDH2 1574/4885

“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.