SCHEMBL15328488

SCHEMBL15328488

CC1(C)OB(c2cnc3c(ccn3C3COC3)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.40
PTGES O14684 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LPL P06858 3/20 0.32
LIPG Q9Y5X9 3/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
ALPL P05186 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL25316539 0.80 DGAT1 (0.32) DGAT1IRAK4ALPL
SCHEMBL26024415 0.80 DGAT1 (0.32) DGAT1IRAK4ALPL
SCHEMBL15328646 0.79 IRAK4 (0.34) DGAT1IRAK4PDGFRBKDRALPL
SCHEMBL2068803 0.78 APP (0.39) DGAT1IRAK4LPLLIPGPDGFRB
SCHEMBL720459 0.77 PDGFRB (0.37) DGAT1IRAK4LPLLIPGPDGFRB
SCHEMBL15339564 0.76 DGAT1 (0.45) DGAT1PTGESBRD4
SCHEMBL31444111 0.76 CRBN (0.40)
SCHEMBL7862710 0.75 GRM2 (0.37) DGAT1IRAK4LPLLIPGBRD4
SCHEMBL15733038 0.73 DGAT1 (0.45) DGAT1PTGESBRD4
SCHEMBL31403646 0.73 DGAT1 (0.50) DGAT1PTGESBRD4

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 DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-20160368899-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-20160250212-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK DGAT1 4206/4885PTGES 2286/4885IRAK4 1215/4885

“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.