SCHEMBL15711154

SCHEMBL15711154

CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ BTK Q06187 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PDE8B O95263 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ CHEK2 O96017 1/20 0.35

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
SCHEMBL15711153 1.00 PRMT5 (0.40) PRMT5KLK7HTR6PARP1JAK2
SCHEMBL15710422 0.82 PDE8B (0.45) BTKPDE8BCHEK2
SCHEMBL15710420 0.82 PDE8B (0.45) BTKPDE8BCHEK2
SCHEMBL18818206 0.81 HRH3 (0.39) PRMT5KLK7HTR6BTKMEN1
SCHEMBL18818205 0.81 HRH3 (0.39) PRMT5KLK7HTR6BTKMEN1
SCHEMBL16341186 0.81 HTR6 (0.46) PRMT5HTR6JAK2JAK1BTK
SCHEMBL15171260 0.81 HTR6 (0.46) PRMT5HTR6JAK2JAK1BTK
SCHEMBL31626148 0.79 JAK1 (0.42) HTR6JAK2JAK1
SCHEMBL14797959 0.79 JAK1 (0.42) HTR6JAK2JAK1
SCHEMBL15711178 0.79 JAK2 (0.49) HTR6PARP1JAK2JAK1BTK

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-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 — — US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 — — 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-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK PRMT5 3149/4885KLK7 843/4885HTR6 519/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK PRMT5 3149/4885KLK7 843/4885HTR6 519/4885

“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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