SCHEMBL615381

SCHEMBL615381

CNC(=O)c1nc(Br)cnc1N

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.60
GRM5 P41594 3/20 0.56
PIK3CD O00329 12/20 0.48
PIK3CA P42336 11/20 0.48
PIK3CG P48736 11/20 0.48
PIK3CB P42338 9/20 0.46
PRKDC P78527 2/20 0.45
ATM Q13315 1/20 0.45
CFTR P13569 1/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL19672815 0.86 ATR (0.57) ATRGRM5PIK3CDPIK3CAPIK3CG
SCHEMBL3461940 0.84 PIK3CD (0.59) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL506051 0.84 ATR (0.62) ATRGRM5PIK3CDPRKDCATM
SCHEMBL10255502 0.84 PIK3CD (0.49) ATRGRM5PIK3CDPIK3CAPIK3CG
SCHEMBL13138607 0.82 GRM5 (0.60) ATRGRM5PIK3CDPIK3CAPIK3CG
SCHEMBL17434318 0.81 ATR (0.56) ATRGRM5PIK3CDPRKDCPIM1
SCHEMBL17204310 0.81 ATR (0.56) ATRGRM5PIK3CDPRKDCATM
SCHEMBL3837215 0.81 ATR (0.41) ATRGRM5PIK3CDPIK3CAPIK3CG
SCHEMBL261742 0.80 ATR (0.54) ATRGRM5PRKDCPIM1PIM3
SCHEMBL30050535 0.80 ATR (0.54) ATRGRM5PRKDCPIM1PIM3

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590064-B2 Substituted benzamides for inhibiting perk activity ELI LILLY AND COMPANY (US) 2026-03-31 US disclosed
EP-4039675-B1 PHENYL-2-HYDROXY-ACETYLAMINO-2-METHYL-PHENYL COMPOUNDS LILLY CO ELI (US) 2024-06-12 EP disclosed
CN-117510405-A Phenyl-2-hydroxy-acetamido-2-methyl-phenyl compounds 礼来公司 2024-02-06 CN disclosed
US-20230373922-A1 PHENYL-2-HYDROXY-ACETYLAMINO-2-METHYL-PHENYL COMPOUNDS FOR THE TREATMENT OF PANCREATIC CANCER LILLY CO ELI (US) 2023-11-23 US disclosed
US-20230373922-A1 PHENYL-2-HYDROXY-ACETYLAMINO-2-METHYL-PHENYL COMPOUNDS FOR THE TREATMENT OF PANCREATIC CANCER LILLY CO ELI (US) 2023-11-23 US disclosed
CN-110831927-B Phenyl-2-hydroxy-acetamido-2-methyl-phenyl compounds 礼来公司 2023-07-14 CN disclosed
US-11655214-B2 Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds for the treatment of pancreatic cancer ELI LILLY AND COMPANY (US) 2023-05-23 US disclosed
US-11655214-B2 Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds for the treatment of pancreatic cancer ELI LILLY AND COMPANY (US) 2023-05-23 US disclosed
EP-4039675-A1 PHENYL-2-HYDROXY-ACETYLAMINO-2-METHYL-PHENYL COMPOUNDS Eli Lilly and Company (US) 2022-08-10 EP disclosed
EP-3612519-B1 PHENYL-2-HYDROXY-ACETYLAMINO-2-METHYL-PHENYL COMPOUNDS LILLY CO ELI (US) 2021-12-01 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-7674791-B2 Triazolopyrazines and methods of making and using the same BIOGEN IDEC MA INC. (US) 2010-03-09 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20070010520-A1 Triazolopyrazines and methods of making and using the same BIOGEN IDEC MA INC. 2007-01-11 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1615931-A1 TRIAZOLOPYRAZINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2006-01-18 EP disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2004092177-A1 TRIAZOLOPYRAZINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-10-28 WO disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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 (5 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 ATR 556/4885GRM5 327/4885PIK3CD 375/4885
US-11655214-B2 Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds for the treatment of pancreatic cancer PNLIP, RNASE1, AMY2A ATR 1953/4885GRM5 2244/4885PIK3CD 1414/4885
US-20230373922-A1 PHENYL-2-HYDROXY-ACETYLAMINO-2-METHYL-PHENYL COMPOUNDS FOR THE TREATMENT OF PANCREATIC CANCER PNLIP, RNASE1, AMY2A ATR 1804/4885GRM5 1762/4885PIK3CD 1301/4885
US-20070010520-A1 Triazolopyrazines and methods of making and using the same ADORA2A, ADORA3, ADORA1 ATR 1363/4885GRM5 95/4885PIK3CD 1477/4885
US-12590064-B2 Substituted benzamides for inhibiting perk activity EIF2AK3, EIF2AK1, EIF2AK4 ATR 1220/4885GRM5 4507/4885PIK3CD 1040/4885

“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.