SCHEMBL16040973

SCHEMBL16040973

c1cnc(O[C@H]2CC[C@@H](Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.38
KDR P35968 2/20 0.37
TBK1 Q9UHD2 4/20 0.37
IKBKE Q14164 2/20 0.37
LRRK2 Q5S007 1/20 0.36
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CBFB Q13951 1/20 0.35
KCNH2 Q12809 1/20 0.35
OGA O60502 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL16040412 1.00 SYK (0.38) SYKKDRTBK1IKBKELRRK2
SCHEMBL16040414 1.00 SYK (0.38) SYKKDRTBK1IKBKELRRK2
SCHEMBL30790693 0.87 SYK (0.43) SYKKDRTBK1IKBKELRRK2
SCHEMBL29578990 0.87 SYK (0.43) SYKKDRTBK1IKBKELRRK2
SCHEMBL16040024 0.87 SYK (0.43) SYKKDRTBK1IKBKELRRK2
SCHEMBL16038633 0.87 SYK (0.43) SYKKDRTBK1IKBKELRRK2
SCHEMBL16040755 0.86 MAPK1 (0.43) SYKTBK1IKBKE
SCHEMBL16079599 0.86 MAPK1 (0.43) SYKTBK1IKBKE
SCHEMBL16040749 0.86 MAPK1 (0.43) SYKTBK1IKBKE
SCHEMBL30790689 0.86 MAPK1 (0.43) SYKTBK1IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-18 US disclosed
EP-3740479-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-11-20 EP disclosed
US-12121524-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
CN-111741955-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-02-23 CN disclosed
US-11813267-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-14 US disclosed
US-11813267-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-14 US disclosed
US-11813267-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-14 US disclosed
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-07 US disclosed
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-07 US disclosed
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-07 US disclosed
US-9340557-B2 Substituted quinoxaline DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-17 US disclosed
US-9340557-B2 Substituted quinoxaline DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-17 US disclosed
EP-2970218-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Inc. (US) 2016-01-20 EP disclosed
WO-2014159690-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-02 WO disclosed
WO-2014159690-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-02 WO disclosed
US-20140275024-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 US disclosed
US-20140275024-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 US disclosed
US-20140275059-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 US disclosed
US-20140275024-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 US disclosed
US-20140275059-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 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-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS DTYMK, POLK, TOP1 SYK 3586/4885KDR 1962/4885TBK1 426/4885
US-11813267-B2 DNA-PK inhibitors POLK, DTYMK, DCK SYK 2672/4885KDR 1164/4885TBK1 506/4885
US-20140275059-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK SYK 2672/4885KDR 1164/4885TBK1 506/4885
US-12121524-B2 DNA-PK inhibitors POLK, DTYMK, DCK SYK 2655/4885KDR 965/4885TBK1 475/4885
US-20140275024-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK SYK 2672/4885KDR 1164/4885TBK1 506/4885
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors TOP1, TOP2A, TOP2B SYK 2953/4885KDR 1283/4885TBK1 672/4885

“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.