SCHEMBL15328651

SCHEMBL15328651

[2H]c1nc(C)nc([2H])c1-c1cc(NC[C@@H](C)c2cccc3c(C(=O)NC)ccnc23)ncn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.53
SLC40A1 Q9NP59 2/20 0.38
FAAH O00519 13/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 1/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16653844 1.00 PRKDC (0.53) PRKDCSLC40A1FAAHKDM4EALDH1A1
SCHEMBL29392854 1.00 PRKDC (0.53) PRKDCSLC40A1FAAHKDM4EALDH1A1
SCHEMBL17874734 0.96 PRKDC (0.57) PRKDCSLC40A1FAAHKDM4EALDH1A1
SCHEMBL17874684 0.95 PRKDC (0.52) PRKDCSLC40A1FAAHKDM4EALDH1A1
SCHEMBL16654055 0.92 PRKDC (0.63) PRKDCSLC40A1FAAHKDM4EALDH1A1
SCHEMBL28551259 0.92 PRKDC (0.63) PRKDCSLC40A1FAAHKDM4EALDH1A1
SCHEMBL29623963 0.92 PRKDC (0.63) PRKDCSLC40A1FAAHKDM4EALDH1A1
SCHEMBL15328700 0.92 PRKDC (0.63) PRKDCSLC40A1FAAHKDM4EALDH1A1
SCHEMBL17874765 0.92 PRKDC (0.55) PRKDCFAAHKDM4EALDH1A1CYP1A2
SCHEMBL17874686 0.91 PRKDC (0.54) PRKDCSLC40A1FAAHKDM4EAURKA

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10716789-B2 Co-crystals and pharmaceutical compositions comprising the same VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-21 US claimed
EP-3424920-B1 CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-04-15 EP claimed
EP-3424920-A1 CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2019-01-09 EP claimed
US-20180325897-A1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VERTEX PHARMACEUTICALS INCORPORATED 2018-11-15 US claimed
US-10039761-B2 Co-crystals and pharmaceutical compositions comprising the same VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-08-07 US claimed
US-20160339024-A1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-24 US claimed
US-20240374764-A1 COMBINATION RADIOTHERAPY TELIX PHARMACEUTICALS (INNOVATIONS) PTY LTD. (AU) 2024-11-14 US disclosed
EP-4387667-A1 COMBINATION RADIOTHERAPY Telix Pharmaceuticals (Innovations) Pty Ltd (AU) 2024-06-26 EP disclosed
WO-2023019308-A1 COMBINATION RADIOTHERAPY Telix International Pty Ltd (AU) 2023-02-23 WO disclosed
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-10716789-B2 Co-crystals and pharmaceutical compositions comprising the same VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-21 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-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-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
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 (9 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 PRKDC 33/4885SLC40A1 4477/4885FAAH 3955/4885
US-20160339024-A1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SUCNR1, SDHA, SDHB PRKDC 4779/4885SLC40A1 599/4885FAAH 408/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885FAAH 3955/4885
US-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885FAAH 3955/4885
US-10716789-B2 Co-crystals and pharmaceutical compositions comprising the same SUCNR1, SDHA, SDHB PRKDC 4779/4885SLC40A1 599/4885FAAH 408/4885
US-10039761-B2 Co-crystals and pharmaceutical compositions comprising the same SUCNR1, SDHA, SDHB PRKDC 4779/4885SLC40A1 599/4885FAAH 408/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885FAAH 3955/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 33/4885SLC40A1 4477/4885FAAH 3955/4885
US-20180325897-A1 CO-CRYSTALS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SUCNR1, SDHA, SDHB PRKDC 4779/4885SLC40A1 599/4885FAAH 408/4885

“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.