SCHEMBL15770549

SCHEMBL15770549

CC1CNCCN1c1ccncc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.49
GSK3B P49841 4/20 0.43
HTT P42858 3/20 0.42
PRKD3 O94806 2/20 0.42
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42
PRKACA P17612 2/20 0.42
PRKACG P22612 2/20 0.42
PRKACB P22694 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCI P41743 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCZ Q05513 2/20 0.42
PRKCD Q05655 2/20 0.42
PRKD1 Q15139 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL4444623 0.84 HTR2A (0.39) LATS1GSK3BHTTPRKD3PRKCG
SCHEMBL8587625 0.82 HTT (0.44) HTTSMN1; SMN2KMT2AMAPK1ALDH1A1
SCHEMBL12098036 0.80 MAPT (0.54) LATS1HTTMEN1KMT2ATP53
SCHEMBL15771126 0.79 GSK3B (0.42) GSK3BHTTSMN1; SMN2MEN1KMT2A
SCHEMBL27103101 0.78 LATS1 (0.54) LATS1GSK3BHTTPRKD3PRKCG
SCHEMBL16702488 0.78 MAPT (0.47) GSK3BHTTMTORMAPTPOLB
SCHEMBL16702727 0.78 MAPT (0.47) GSK3BHTTMTORMAPTPOLB
SCHEMBL16702491 0.78 MAPT (0.47) GSK3BHTTMTORMAPTPOLB
SCHEMBL4437996 0.77 MAPT (0.53) HTTSMN1; SMN2MAPK1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL30062902 0.76 LATS1 (0.53) LATS1GSK3BHTTPRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2025-07-10 US disclosed
EP-4534538-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2025-04-09 EP disclosed
EP-4190786-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2025-02-26 EP disclosed
US-12187731-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-07 US disclosed
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2023-08-31 US disclosed
EP-4190786-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2023-06-07 EP disclosed
EP-3808749-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES VERTEX PHARMA (US) 2023-03-08 EP disclosed
US-11370798-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-06-28 US disclosed
US-11117900-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-09-14 US disclosed
EP-3486245-B1 2-AMINO-N-(PIPERIDIN-1-YL-PYRIDIN-3-YL) PYRAZOLO[1,5ALPHA]PYRIMIDINE-3-CARBOXAMID AS INHIBITOR OF ATR KINASE VERTEX PHARMA (US) 2021-04-28 EP disclosed
EP-2941432-B1 2-AMINO-6-FLUORO-N-(5-FLUORO-4-(4-(4-(OXETAN-3-YL)PIPERAZINE-1-CARBONYL)PIPERIDIN-1-YL)PYRIDIN-3-YL)PYRAZOLO[1,5ALPHA]PYRIMIDINE-3-CARBOXAMIDE AS INHIBITOR OF ATR KINASE VERTEX PHARMA (US) 2018-03-07 EP disclosed
US-9718827-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-01 US disclosed
US-9650381-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-05-16 US disclosed
US-20160347754-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-01 US disclosed
US-9340546-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-17 US disclosed
EP-2941432-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Inc. (US) 2015-11-11 EP disclosed
WO-2014089379-A9 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 WO disclosed
US-20140249157-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-09-04 US disclosed
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-06-12 US disclosed
WO-2014089379-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-12 WO 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-20140249157-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 LATS1 563/4885GSK3B 228/4885HTT 1973/4885
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 LATS1 563/4885GSK3B 228/4885HTT 1973/4885
US-11117900-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 LATS1 558/4885GSK3B 237/4885HTT 1997/4885
US-20160347754-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 LATS1 558/4885GSK3B 237/4885HTT 1997/4885
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 LATS1 563/4885GSK3B 228/4885HTT 1973/4885
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 LATS1 558/4885GSK3B 237/4885HTT 1997/4885
US-12187731-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, CHEK1 LATS1 563/4885GSK3B 228/4885HTT 1973/4885
US-11370798-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 LATS1 558/4885GSK3B 237/4885HTT 1997/4885

“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.