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Sugi Predict / Compounds / SCHEMBL506085

SCHEMBL506085

SCHEMBL506085

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)cc2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.37
▸ ATR Q13535 10/20 0.36
▸ ATM Q13315 4/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ PRKDC P78527 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ SERPINA2 P20848 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32

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
SCHEMBL12988707 0.95 ATR (0.39) NR1H4ATRATMHSD11B1PDPK1
SCHEMBL14829402 0.92 ATR (0.38) NR1H4ATRATMHSD11B1PPARA
SCHEMBL14829315 0.92 ATR (0.38) NR1H4ATRATMPDPK1PPARA
SCHEMBL16105067 0.89 ATR (0.36) NR1H4ATRATMHSD11B1PPARA
SCHEMBL14865808 0.88 ACVR1 (0.37) ATRATMPDPK1PPARAPRKDC
SCHEMBL14850004 0.88 ATR (0.39) ATRATMPDPK1PPARAHDAC1
SCHEMBL14829302 0.88 PPARA (0.37) ATRATMPDPK1PPARAHDAC1
SCHEMBL30275224 0.88 PPARA (0.37) ATRATMPDPK1PPARAHDAC1
SCHEMBL15105510 0.87 PPARA (0.38) ATRATMPDPK1PPARAPRKDC
SCHEMBL505922 0.86 ATR (0.48) NR1H4ATRATMGPR119PRKDC

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 NR1H4 4642/4885ATR 1/4885ATM 32/4885

“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.