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SCHEMBL3059699

SCHEMBL3059699

CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.72
▸ MEN1 O00255 4/20 0.72
▸ ABL1 P00519 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ HDAC4 P56524 1/20 0.50
▸ EPHX2 P34913 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CNR2 P34972 1/20 0.43
▸ SETD7 Q8WTS6 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
SCHEMBL2556566 0.96 KMT2A (0.65) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL29089126 0.92 KMT2A (0.61) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL28402659 0.85 KMT2A (0.69) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL3941264 0.84 MEN1 (0.76) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL3068899 0.84 KMT2A (1.00) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL950365 0.83 HPGD (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL8252454 0.82 KMT2A (0.72) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL3069058 0.82 MEN1 (0.72) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL15331662 0.81 CRBN (0.53) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL28890427 0.80 HPGD (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 — — US disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 — — EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 — — EP disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 — — US disclosed
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-11-19 — — US disclosed
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2019-02-14 — — US disclosed
EP-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 — — EP disclosed
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2018-06-21 — — US disclosed
EP-2376485-B1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2017-12-06 — — EP disclosed
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 — — US disclosed
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-10-27 — — US disclosed
US-9365557-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-02-19 — — US disclosed
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 — — US disclosed
US-8841308-B2 Pyrazin-2-amines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 — — 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 (9 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-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 KMT2A 1482/4885MEN1 2596/4885ABL1 178/4885
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 KMT2A 1708/4885MEN1 2273/4885ABL1 127/4885
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 KMT2A 1708/4885MEN1 2273/4885ABL1 127/4885
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 KMT2A 1708/4885MEN1 2273/4885ABL1 127/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 KMT2A 1708/4885MEN1 2273/4885ABL1 127/4885
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase ATR, CHEK2, CHEK1 KMT2A 894/4885MEN1 2645/4885ABL1 102/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 KMT2A 1708/4885MEN1 2273/4885ABL1 127/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 KMT2A 1708/4885MEN1 2273/4885ABL1 127/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 KMT2A 1708/4885MEN1 2273/4885ABL1 127/4885

“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.