SCHEMBL20480898

SCHEMBL20480898

CC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3N)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ KIT P10721 1/20 0.39
▸ JAK1 P23458 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PTPRB P23467 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ STS P08842 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL31626228 0.89 BTK (0.47) BTKKITJAK1JAK2ACHE
SCHEMBL14798056 0.89 BTK (0.47) BTKKITJAK1JAK2ACHE
SCHEMBL20480851 0.87 GPR119 (0.42) BTKKCNH2KITJAK1JAK2
SCHEMBL15143899 0.86 BTK (0.57) BTKJAK1JAK2GPR119STS
SCHEMBL15710701 0.86 BTK (0.57) BTKJAK1JAK2GPR119STS
SCHEMBL16320728 0.85 BTK (0.51) BTKJAK1JAK2JAK3
SCHEMBL16320727 0.85 BTK (0.51) BTKJAK1JAK2JAK3
SCHEMBL30760813 0.83 JAK2 (0.41) BTKKCNH2KITJAK1JAK2
SCHEMBL30760880 0.83 JAK2 (0.41) BTKKCNH2KITJAK1JAK2
SCHEMBL30760937 0.80 JAK2 (0.45) BTKJAK1JAK2ACHEJAK3

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-10314844-B2 Inhibitors of Bruton's tyrosine kinase GILEAD SCIENCES, INC. (US) 2019-06-11 — — US disclosed
US-20180243311-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE GILEAD SCIENCES, INC. 2018-08-30 — — 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 (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-10314844-B2 Inhibitors of Bruton's tyrosine kinase BTK, ABL1, LYN BTK 1/4885KCNH2 3048/4885KIT 648/4885
US-20180243311-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, LYN BTK 1/4885KCNH2 3048/4885KIT 648/4885

“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.

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