SCHEMBL15770656

SCHEMBL15770656

CN1CCN(c2cc(N)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 4/20 0.51
SIRT6 Q8N6T7 2/20 0.51
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.44
WDR5 P61964 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL15770595 0.86 MAPT (0.52) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL25244770 0.83 MAPT (0.59) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL15771498 0.81 MAPT (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL22235201 0.79 MAPT (0.44) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL15770150 0.77 KDM4E (0.53) MAPTALDH1A1GAA
SCHEMBL15016552 0.77 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL15301678 0.75 MAPT (0.49) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26986495 0.75 KDM4E (0.54) MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL12212055 0.75 MAPT (0.62) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL23122545 0.74 MAPT (0.53) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6

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 34 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
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
CN-104903325-A COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA 2015-09-09 CN 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 MAPT 2470/4885ALDH1A1 4170/4885SMN1; SMN2 1227/4885
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 MAPT 2470/4885ALDH1A1 4170/4885SMN1; SMN2 1227/4885
US-11117900-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 MAPT 2585/4885ALDH1A1 4127/4885SMN1; SMN2 1281/4885
US-20160347754-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 MAPT 2585/4885ALDH1A1 4127/4885SMN1; SMN2 1281/4885
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 MAPT 2470/4885ALDH1A1 4170/4885SMN1; SMN2 1227/4885
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 MAPT 2585/4885ALDH1A1 4127/4885SMN1; SMN2 1281/4885
US-12187731-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, CHEK1 MAPT 2470/4885ALDH1A1 4170/4885SMN1; SMN2 1227/4885
US-11370798-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 MAPT 2585/4885ALDH1A1 4127/4885SMN1; SMN2 1281/4885

“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.