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Sugi Predict / Compounds / SCHEMBL15328646

SCHEMBL15328646

SCHEMBL15328646

CC1(C)OB(c2cnc3c(cnn3C3COC3)c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ ALPL P05186 1/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ USP30 Q70CQ3 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
SCHEMBL30853264 0.90 IRAK4 (0.36) IRAK4FFAR1GSK3AGSK3BPDGFRB
SCHEMBL27402947 0.90 IRAK4 (0.36) IRAK4FFAR1GSK3AGSK3BPDGFRB
SCHEMBL25314625 0.85 FFAR1 (0.34) IRAK4FFAR1GSK3AGSK3BPDGFRB
SCHEMBL15328409 0.80 IRAK4 (0.44) IRAK4FFAR1LRRK2DGAT1
SCHEMBL15328488 0.79 DGAT1 (0.40) IRAK4PDGFRBKDRALPLDGAT1
SCHEMBL15328815 0.78 GSK3A (0.32) IRAK4FFAR1GSK3AGSK3BPDGFRB
SCHEMBL12370610 0.78 CYP4F2 (0.38) IRAK4GSK3AGSK3BPDGFRBKDR
SCHEMBL30242559 0.78 CYP4F2 (0.38) IRAK4GSK3AGSK3BPDGFRBKDR
SCHEMBL14887165 0.77 IRAK4 (0.39) IRAK4FFAR1GSK3AGSK3BPDGFRB
SCHEMBL15328506 0.77 FFAR1 (0.34) IRAK4FFAR1GSK3AGSK3BRPS6KA3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 — — US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 — — US disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 — — EP disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 — — CN disclosed
US-20200109130-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-09 — — US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 — — US disclosed
CN-106986863-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2019-12-31 — — CN disclosed
US-10442791-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-15 — — US disclosed
US-10391095-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-27 — — US disclosed
EP-3459942-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2019-03-27 — — EP disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 — — US disclosed
US-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 — — US disclosed
US-9592232-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-14 — — US disclosed
US-20160368899-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-22 — — US disclosed
US-20160250212-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-01 — — US disclosed
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 — — US disclosed
US-9296701-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 — — US disclosed
US-20150111871-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 — — US disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 — — US disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — 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 (12 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-20140045869-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-20160368899-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-20160250212-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK IRAK4 1215/4885FFAR1 4725/4885GSK3A 450/4885

“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.