SCHEMBL15328545

SCHEMBL15328545

CNC(=O)c1ccnc2c(C(C)CN)cccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.52
PLK1 P53350 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PSMD14 O00487 4/20 0.41
KDM4A O75164 1/20 0.39
RAB9A P51151 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
RPS6KB1 P23443 3/20 0.38
AURKA O14965 2/20 0.35
AURKB Q96GD4 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CCR1 P32246 1/20 0.34

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
SCHEMBL15328640 1.00 SLC40A1 (0.52) SLC40A1PLK1L3MBTL1KDM4EPSMD14
Hydrochloric Acid SCHEMBL28016092 0.99 SLC40A1 (0.51) SLC40A1PLK1L3MBTL1KDM4EPSMD14
Hydrochloric Acid SCHEMBL28016091 0.99 SLC40A1 (0.51) SLC40A1PLK1L3MBTL1KDM4EPSMD14
Hydrochloric Acid SCHEMBL29624025 0.99 SLC40A1 (0.51) SLC40A1PLK1L3MBTL1KDM4EPSMD14
Hydrochloric Acid SCHEMBL28552491 0.99 SLC40A1 (0.51) SLC40A1PLK1L3MBTL1KDM4EPSMD14
Trifluoroacetic Acid SCHEMBL28575034 0.92 SLC40A1 (0.48) SLC40A1PLK1L3MBTL1KDM4EPSMD14
SCHEMBL19905328 0.89 SLC40A1 (0.53) SLC40A1PLK1L3MBTL1KDM4EPSMD14
SCHEMBL19905064 0.86 SLC40A1 (0.51) SLC40A1PLK1L3MBTL1KDM4EPSMD14
SCHEMBL15343062 0.85 SLC40A1 (0.54) SLC40A1PLK1L3MBTL1KDM4EPSMD14
SCHEMBL18317971 0.85 SLC40A1 (0.50) SLC40A1PLK1L3MBTL1KDM4EPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574211-B Heterocyclic kinase inhibitors 山东轩竹医药科技有限公司 2022-06-14 CN disclosed
CN-112574179-B DNA-PK inhibitors 山东轩竹医药科技有限公司 2022-05-10 CN disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US 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
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
CN-112574179-A DNA-PK inhibitors 山东轩竹医药科技有限公司 2021-03-30 CN disclosed
CN-112574211-A Heterocyclic kinase inhibitors 山东轩竹医药科技有限公司 2021-03-30 CN 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-20150111871-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 US 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
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
WO-2013163190-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-10-31 WO 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
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 (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-20140045869-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK SLC40A1 4477/4885PLK1 53/4885L3MBTL1 2098/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK SLC40A1 4477/4885PLK1 53/4885L3MBTL1 2098/4885
US-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK SLC40A1 4477/4885PLK1 53/4885L3MBTL1 2098/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK SLC40A1 4477/4885PLK1 53/4885L3MBTL1 2098/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK SLC40A1 4477/4885PLK1 53/4885L3MBTL1 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.