SCHEMBL17634758

SCHEMBL17634758

CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4ccc(OC(C)(C)C)cc4)ncn3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.46
FAAH O00519 15/20 0.42
ABL1 P00519 2/20 0.40
BCR P11274 1/20 0.40
SLC40A1 Q9NP59 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
SCHEMBL19905286 0.92 ABL1 (0.39) PRKDCFAAHABL1BCRSLC40A1
SCHEMBL17634699 0.91 FAAH (0.49) PRKDCFAAHABL1BCRSLC40A1
SCHEMBL17874661 0.90 PRKDC (0.52) PRKDCFAAHABL1BCRSLC40A1
SCHEMBL17634701 0.88 PRKDC (0.49) PRKDCFAAHSLC40A1
SCHEMBL17634687 0.88 PRKDC (0.51) PRKDCFAAHSLC40A1
SCHEMBL17635390 0.88 PRKDC (0.49) PRKDCFAAHSLC40A1
SCHEMBL17634700 0.88 PRKDC (0.49) PRKDCFAAHSLC40A1
SCHEMBL17634688 0.87 PRKDC (0.48) PRKDCFAAHSLC40A1
SCHEMBL17634628 0.87 PRKDC (0.48) PRKDCFAAHSLC40A1
SCHEMBL17634751 0.87 PRKDC (0.46) PRKDCFAAHSLC40A1

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 16 patents. 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
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
US-9925188-B2 DNA-PK inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-27 US disclosed
US-9925188-B2 DNA-PK inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-27 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-9592232-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-14 US disclosed
US-9592232-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-14 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-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-9296701-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 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 (5 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-20160250212-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885ABL1 713/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885ABL1 713/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885ABL1 713/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885ABL1 713/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885FAAH 3955/4885ABL1 713/4885

“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.