SCHEMBL17634672

SCHEMBL17634672

Cc1ncc(-c2cc(NC[C@@H](C)c3cccc4c(C(N)=O)ccnc34)ncn2)cn1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.64
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RPS6KB1 P23443 7/20 0.38
AURKA O14965 5/20 0.38
FAAH O00519 6/20 0.38
SLC40A1 Q9NP59 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3R2 O00459 1/20 0.35
AURKB Q96GD4 2/20 0.35

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
SCHEMBL17634566 0.92 PRKDC (0.55) PRKDCKDM4EL3MBTL1RPS6KB1AURKA
SCHEMBL17634702 0.92 PRKDC (0.65) PRKDCKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL17634655 0.92 PRKDC (0.65) PRKDCKDM4ERPS6KB1AURKAFAAH
SCHEMBL17874686 0.91 PRKDC (0.54) PRKDCKDM4EL3MBTL1RPS6KB1AURKA
SCHEMBL15328700 0.90 PRKDC (0.63) PRKDCKDM4ERPS6KB1AURKAFAAH
SCHEMBL28551259 0.90 PRKDC (0.63) PRKDCKDM4ERPS6KB1AURKAFAAH
SCHEMBL17634679 0.90 PRKDC (0.63) PRKDCKDM4EFAAHSLC40A1ALDH1A1
SCHEMBL16654055 0.90 PRKDC (0.63) PRKDCKDM4ERPS6KB1AURKAFAAH
SCHEMBL29623963 0.90 PRKDC (0.63) PRKDCKDM4ERPS6KB1AURKAFAAH
SCHEMBL19818181 0.89 PRKDC (0.61) PRKDCKDM4ERPS6KB1AURKAFAAH

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 18 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-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 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 (6 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 33/4885KDM4E 910/4885L3MBTL1 2098/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885KDM4E 910/4885L3MBTL1 2098/4885
US-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885KDM4E 910/4885L3MBTL1 2098/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885KDM4E 910/4885L3MBTL1 2098/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885KDM4E 910/4885L3MBTL1 2098/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885KDM4E 910/4885L3MBTL1 2098/4885

“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.