SCHEMBL17634836

SCHEMBL17634836

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.47
SLC40A1 Q9NP59 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.37
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
HSD17B10 Q99714 5/20 0.34
CYP2D6 P10635 4/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP2C19 P33261 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
NR1H2 P55055 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
FAAH O00519 5/20 0.33
CLK4 Q9HAZ1 5/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
ABL1 P00519 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
SCHEMBL20373156 0.92 PRKDC (0.41) PRKDCSLC40A1PIK3C3CYP1A2CYP3A4
SCHEMBL17634691 0.91 PRKDC (0.47) PRKDCSLC40A1FAAH
SCHEMBL17634789 0.89 PRKDC (0.51) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10
SCHEMBL17634641 0.89 PRKDC (0.53) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10
SCHEMBL17634834 0.88 PRKDC (0.48) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10
SCHEMBL17634645 0.88 PRKDC (0.51) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10
SCHEMBL17634908 0.88 PRKDC (0.48) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10
SCHEMBL17634626 0.88 PRKDC (0.49) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10
SCHEMBL17634838 0.87 PRKDC (0.47) PRKDCSLC40A1CYP1A2CYP3A4HSD17B10
SCHEMBL17634828 0.86 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 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-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 4477/4885PIK3C3 1772/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885PIK3C3 1772/4885
US-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885PIK3C3 1772/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885PIK3C3 1772/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885PIK3C3 1772/4885

“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.