SCHEMBL15770945

SCHEMBL15770945

CN(C)C(=O)C1CCC(Oc2ccncc2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP46A1 Q9Y6A2 9/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
SCD O00767 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
IKBKB O14920 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
SCHEMBL15771271 0.85 KMT2A (0.43) ATRMEN1KMT2ASCDCYP1A2
SCHEMBL31342915 0.85 MEN1 (0.51) MEN1KMT2ASCDCYP1A2MAPT
SCHEMBL26833769 0.85 MEN1 (0.51) MEN1KMT2ASCDCYP1A2MAPT
SCHEMBL15770552 0.85 ATR (0.44) ATRMEN1KMT2ASCDMAPT
SCHEMBL24477372 0.81 KMT2A (0.46) MEN1KMT2ASCDCYP1A2MAPT
SCHEMBL15771430 0.81 ATR (0.52) ATRCYP46A1CCNCCDK8LPAR1
SCHEMBL15771429 0.81 ATR (0.52) ATRCYP46A1CCNCCDK8LPAR1
SCHEMBL15784051 0.81 ATR (0.52) ATRCYP46A1CCNCCDK8LPAR1
SCHEMBL15770459 0.76 MEN1 (0.46) MEN1KMT2ASCDCYP1A2MAPT
Hydrochloric Acid SCHEMBL4091933 0.75 IKBKB (0.48) MEN1KMT2ASCDIKBKB

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 ATR 1/4885MEN1 2002/4885KMT2A 1525/4885
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 ATR 1/4885MEN1 2002/4885KMT2A 1525/4885
US-11117900-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 ATR 1/4885MEN1 1965/4885KMT2A 1589/4885
US-20160347754-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 ATR 1/4885MEN1 1965/4885KMT2A 1589/4885
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 ATR 1/4885MEN1 2002/4885KMT2A 1525/4885
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 ATR 1/4885MEN1 1965/4885KMT2A 1589/4885
US-12187731-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, CHEK1 ATR 1/4885MEN1 2002/4885KMT2A 1525/4885
US-11370798-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 ATR 1/4885MEN1 1965/4885KMT2A 1589/4885

“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.