SCHEMBL16341186

SCHEMBL16341186

CC(C)(C)OC(=O)N1CCCC(n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.46
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ SRC P12931 3/20 0.43
▸ EGFR P00533 2/20 0.43
▸ HPGDS O60760 2/20 0.42
▸ BTK Q06187 2/20 0.41
▸ PRMT5 O14744 3/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ GPR119 Q8TDV5 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ABL2 P42684 1/20 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
SCHEMBL15171260 1.00 HTR6 (0.46) HTR6JAK2JAK1SRCEGFR
SCHEMBL15171143 0.95 JAK2 (0.49) HTR6JAK2JAK1SRCEGFR
SCHEMBL15711178 0.95 JAK2 (0.49) HTR6JAK2JAK1SRCEGFR
SCHEMBL14797959 0.93 JAK1 (0.42) HTR6JAK2JAK1SRCEGFR
SCHEMBL31626148 0.93 JAK1 (0.42) HTR6JAK2JAK1SRCEGFR
SCHEMBL18645213 0.89 HTR6 (0.47) HTR6JAK2JAK1HPGDSBTK
SCHEMBL30760777 0.88 JAK2 (0.44) HTR6JAK2JAK1SRCEGFR
SCHEMBL30760907 0.88 JAK2 (0.44) HTR6JAK2JAK1SRCEGFR
SCHEMBL30760906 0.88 JAK2 (0.44) HTR6JAK2JAK1SRCEGFR
SCHEMBL30760762 0.88 JAK2 (0.44) HTR6JAK2JAK1SRCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147285-A2 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2017-03-29 — — EP disclosed
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-22 — — US disclosed
US-9469642-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-10-18 — — US disclosed
US-20140378446-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2014-12-25 — — 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-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 HTR6 1482/4885JAK2 8/4885JAK1 32/4885
US-20140378446-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 HTR6 1482/4885JAK2 8/4885JAK1 32/4885

“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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