Sugi Predict

Sugi Predict / Compounds / SCHEMBL615119

SCHEMBL615119

SCHEMBL615119

CCNC(=O)OC1CCNC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.59
▸ KCNH2 Q12809 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ BCHE P06276 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ SLC6A1 P30531 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ SLC6A12 P48065 2/20 0.34
▸ SLC6A11 P48066 2/20 0.34
▸ SLC6A13 Q9NSD5 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRR1 P24046 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL615118 1.00 EPHX1 (0.59) EPHX1KCNH2GAABCHENAAA
SCHEMBL3697937 0.90 EPHX1 (0.65) EPHX1KCNH2GAABCHENAAA
SCHEMBL2897100 0.89 EPHX1 (0.68) EPHX1GAABCHENAAAALDH1A1
Hydrochloric Acid SCHEMBL2897098 0.88 EPHX1 (0.66) EPHX1GAABCHENAAAALDH1A1
SCHEMBL12945524 0.87 EPHX1 (0.63) EPHX1GAABCHENAAAALDH1A1
SCHEMBL3647096 0.84 GAA (0.56) EPHX1GAABCHEGNAI3GNAO1
SCHEMBL22679959 0.80 CHRM1 (0.38) EPHX1CHRM3SLC6A1GABRA5GABRB2
SCHEMBL22679987 0.80 CHRM1 (0.38) EPHX1CHRM3SLC6A1GABRA5GABRB2
SCHEMBL22680122 0.80 CHRM1 (0.38) EPHX1CHRM3SLC6A1GABRA5GABRB2
SCHEMBL27924846 0.80 EPHX1 (0.37) EPHX1GAABCHECHRM3SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264721-B Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INC. (US) 2015-12-09 — — CN disclosed
US-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-24 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
CN-102264721-A Compounds useful as inhibitors of ATR kinase — 2011-11-30 — — CN disclosed
EP-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 — — EP disclosed
WO-2010054398-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 — — 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 (2 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-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 EPHX1 3860/4885KCNH2 3467/4885GAA 1567/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 EPHX1 3860/4885KCNH2 3467/4885GAA 1567/4885

“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.