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Sugi Predict / Compounds / SCHEMBL16088308

SCHEMBL16088308

SCHEMBL16088308

O=C1c2ccccc2C(=O)N1[C@H]1CC[C@@H](Oc2cc(N3CC4CC(C3)O4)cc3nccnc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SCD O00767 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL16041807 1.00 ADRA1D (0.33) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1
SCHEMBL16039402 0.86 LRRK2 (0.36) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1
SCHEMBL16039400 0.86 LRRK2 (0.36) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1
SCHEMBL30790695 0.86 LRRK2 (0.36) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1
SCHEMBL23713202 0.83 — —
SCHEMBL16040372 0.80 ALDH1A1 (0.37) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1
SCHEMBL30790682 0.80 ALDH1A1 (0.37) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1
SCHEMBL16039398 0.80 ALDH1A1 (0.37) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1
SCHEMBL23059578 0.80 ALDH1A1 (0.37) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1
SCHEMBL30790686 0.80 ALDH1A1 (0.37) ADRA1DADRA1AADRA1BL3MBTL1ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3985003-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2023-08-09 — — EP disclosed
EP-3985003-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2022-04-20 — — EP disclosed
US-20210236505-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-05 — — US disclosed
US-10973830-B2 Substituted quinoxaline DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 — — US disclosed
US-20210060028-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2021-03-04 — — US disclosed
US-20190290654-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-26 — — US disclosed
EP-3527563-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2019-08-21 — — EP disclosed
WO-2019143675-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 — — WO disclosed
US-9987284-B2 Substituted benzooxadiazole DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-05 — — US disclosed
US-9987284-B2 Substituted benzooxadiazole DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-05 — — US disclosed
US-20160340341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-24 — — US disclosed
US-20160340341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-24 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10973830-B2 Substituted quinoxaline DNA-PK inhibitors TOP1, TOP2A, TOP2B ADRA1D 2641/4885ADRA1A 2311/4885ADRA1B 2165/4885
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS DTYMK, POLK, TOP1 ADRA1D 3841/4885ADRA1A 3781/4885ADRA1B 3812/4885
US-20190290654-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ADRA1D 3743/4885ADRA1A 3739/4885ADRA1B 3578/4885
US-20160340341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ADRA1D 3743/4885ADRA1A 3739/4885ADRA1B 3578/4885
US-20210060028-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ADRA1D 3777/4885ADRA1A 3666/4885ADRA1B 3549/4885
US-20140275024-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ADRA1D 3743/4885ADRA1A 3739/4885ADRA1B 3578/4885
US-20210236505-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS DTYMK, POLK, TOP1 ADRA1D 3841/4885ADRA1A 3781/4885ADRA1B 3812/4885

“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.