SCHEMBL17634834

SCHEMBL17634834

CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cncc(N)c4)ncn3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.48
SLC40A1 Q9NP59 2/20 0.37
HDAC1 Q13547 1/20 0.35
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 5/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP2D6 P10635 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
FAAH O00519 7/20 0.34
CLK4 Q9HAZ1 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL20373525 0.92 PRKDC (0.41) PRKDCSLC40A1HDAC1CYP1A2CYP3A4
SCHEMBL17634789 0.91 PRKDC (0.51) PRKDCSLC40A1HDAC1CYP1A2CYP3A4
SCHEMBL17634641 0.91 PRKDC (0.53) PRKDCSLC40A1HDAC1CYP1A2CYP3A4
SCHEMBL17634645 0.90 PRKDC (0.51) PRKDCSLC40A1HDAC1CYP1A2CYP3A4
SCHEMBL17634908 0.90 PRKDC (0.48) PRKDCSLC40A1HDAC1CYP1A2CYP3A4
SCHEMBL15339626 0.89 PRKDC (0.56) PRKDCSLC40A1HDAC1CYP1A2CYP3A4
SCHEMBL17634838 0.89 PRKDC (0.47) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10
SCHEMBL15339617 0.89 PRKDC (0.51) PRKDCSLC40A1FAAHALOX5APFEN1
SCHEMBL17634836 0.88 PRKDC (0.47) PRKDCSLC40A1HDAC1CYP1A2CYP3A4
SCHEMBL17634828 0.88 PRKDC (0.48) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10

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 17 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
EP-3057959-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2018-02-28 EP 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-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-9592232-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-14 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-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885HDAC1 711/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885HDAC1 711/4885
US-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885HDAC1 711/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885HDAC1 711/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885HDAC1 711/4885

“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.