SCHEMBL15328529

SCHEMBL15328529

O=C(Cl)c1ccnc2c(Br)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
KDM4A O75164 2/20 0.49
EGLN1 Q9GZT9 2/20 0.49
RAB9A P51151 1/20 0.49
HIF1AN Q9NWT6 1/20 0.49
PSMD14 O00487 3/20 0.46
PREP P48147 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM6B O15054 1/20 0.38
KDM6A O15550 1/20 0.38
TET3 O43151 1/20 0.38
KDM4B O94953 1/20 0.38

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
SCHEMBL7603841 0.87 KDM4E (0.51) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL4519716 0.85 KDM4E (0.68) KDM4EL3MBTL1KDM4AEGLN1RAB9A
Hydrochloric Acid SCHEMBL15328531 0.83 KDM4E (0.66) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL7370804 0.83 PREP (0.50) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL27908514 0.80 KDM4E (0.44) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL7377364 0.80 PSMD14 (0.68) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL15328824 0.80 SLC40A1 (0.56) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL7368792 0.77 KDM4E (0.57) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL7369890 0.76 NUDT1 (0.52) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL10405412 0.74 PRNP (0.58) KMT2AMEN1MAPT

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
CN-108771681-B Co-crystals of compounds and deuterated derivatives thereof as DNA-PK inhibitors 沃泰克斯药物股份有限公司 2021-06-15 CN 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
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 CN disclosed
US-10716789-B2 Co-crystals and pharmaceutical compositions comprising the same VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-21 US disclosed
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 disclosed
US-20200109130-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-09 US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 US disclosed
CN-106986863-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2019-12-31 CN disclosed
CN-105636958-A Dna-pk inhibitors VERTEX PHARMA 2016-06-01 CN disclosed
US-9296701-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 US disclosed
CN-104640852-A Dna-pk inhibitors VERTEX PHARMA 2015-05-20 CN disclosed
WO-2015058067-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) 2015-04-23 WO disclosed
US-20150111871-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 US disclosed
WO-2015058031-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 WO disclosed
EP-2841428-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2015-03-04 EP disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
WO-2013163190-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-10-31 WO 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 (8 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 KDM4E 910/4885L3MBTL1 2098/4885KDM4A 1144/4885
US-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885L3MBTL1 2098/4885KDM4A 1144/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK KDM4E 910/4885L3MBTL1 2098/4885KDM4A 1144/4885
US-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885L3MBTL1 2098/4885KDM4A 1144/4885
US-10716789-B2 Co-crystals and pharmaceutical compositions comprising the same SUCNR1, SDHA, SDHB KDM4E 2577/4885L3MBTL1 4839/4885KDM4A 2647/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885L3MBTL1 2098/4885KDM4A 1144/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885L3MBTL1 2098/4885KDM4A 1144/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK KDM4E 910/4885L3MBTL1 2098/4885KDM4A 1144/4885

“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.