Sugi Predict

Sugi Predict / Compounds / SCHEMBL506096

SCHEMBL506096

SCHEMBL506096

CN(Cc1ccc(-c2cc(-c3nc(-c4c[nH]c(=O)c(-c5ccccc5)c4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)on2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 11/20 0.39
▸ ATM Q13315 4/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ CXCR1 P25024 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ SERPINA2 P20848 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ FLT3 P36888 1/20 0.31

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
SCHEMBL505940 0.90 ATR (0.41) ATRATMGSK3BLMNARAB9A
SCHEMBL2635308 0.89 ATR (0.40) ATRATMGSK3BLMNARAB9A
SCHEMBL506018 0.88 ATR (0.51) ATRATMGSK3BJAK2ABL1
SCHEMBL2635875 0.88 ATR (0.40) ATRATMGSK3BJAK2ABL1
SCHEMBL2635173 0.85 ATR (0.38) ATRATMGSK3BJAK2ABL1
SCHEMBL505941 0.85 ATR (0.37) ATRATMPRKDC
SCHEMBL15120106 0.82 ATR (0.40) ATRATMGSK3BJAK2ABL1
SCHEMBL2640729 0.82 ATR (0.39) ATRATMGSK3BJAK2ABL1
SCHEMBL30275224 0.81 PPARA (0.37) ATRATMGSK3BCXCR1LMNA
SCHEMBL14829302 0.81 PPARA (0.37) ATRATMGSK3BCXCR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — WO disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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 (1 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-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 ATR 1/4885ATM 32/4885GSK3B 216/4885

“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.