SCHEMBL257266

SCHEMBL257266

COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccc(C#N)cc1F)c(=O)n3C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 1.00
PRKDC P78527 9/20 0.75
MTOR P42345 3/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
KCNH2 Q12809 5/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
ATR Q13535 1/20 0.38

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
SCHEMBL29614884 1.00 ATM (1.00) ATMPRKDCMTORPIK3CAPIK3CD
SCHEMBL18114235 0.89 ATM (0.80) ATMPRKDCMTORPIK3CAPIK3CD
SCHEMBL20031059 0.87 PRKDC (0.77) ATMPRKDCFGFR1FGFR2FGFR4
SCHEMBL256590 0.87 ATM (0.78) ATMPRKDCMTORKCNH2
SCHEMBL257265 0.87 ATM (0.78) ATMPRKDCMTORPIK3CAPIK3CD
SCHEMBL257264 0.87 ATM (0.76) ATMPRKDCMTORPIK3CAPIK3CD
SCHEMBL166632 0.87 ATM (0.76) ATMPRKDCMTORPIK3CAPIK3CD
SCHEMBL20730886 0.86 ATM (0.76) ATMPRKDCMTORPIK3CAPIK3CD
SCHEMBL18125273 0.86 ATM (0.76) ATMPRKDCMTORPIK3CAPIK3CD
SCHEMBL30342459 0.86 ATM (0.76) ATMPRKDCMTORPIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478459-B2 Pharmaceutical preparation MERCK PATENT GMBH (DE) 2022-10-25 US claimed
EP-3664778-B1 PHARMACEUTICAL PREPARATION COMPRISING 3-FLUORO-4-[7-METHOXY-3-METHYL-8-(1-METHYL-1 H-PYRAZOL-4-YL)-2-OXO-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1-YL]-BENZONITRILE MERCK PATENT GMBH (DE) 2022-05-25 EP claimed
US-20210353614-A1 COMPOUNDS AND USES THEREOF TO TREAT TUMORS IN A SUBJECT MERCK PATENT GMBH (DE) 2021-11-18 US claimed
EP-3765019-A1 COMPOUNDS AND USES THEREOF TO TREAT TUMORS IN A SUBJECT Merck Patent GmbH (DE) 2021-01-20 EP claimed
CN-111867589-A Compounds for treating tumors in a subject and uses thereof 默克专利股份有限公司 2020-10-30 CN claimed
US-20200237733-A1 PHARMACEUTICAL PREPARATION MERCK PATENT GMBH (DE) 2020-07-30 US claimed
EP-3664778-A1 PHARMACEUTICAL PREPARATION COMPRISING 3-FLUORO-4-[7-METHOXY-3-METHYL-8-(1-METHYL-1 H-PYRAZOL-4-YL)-2-OXO-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1 -YL]-BENZONITRILE Merck Patent GmbH (DE) 2020-06-17 EP claimed
WO-2019175243-A1 COMPOUNDS AND USES THEREOF TO TREAT TUMORS IN A SUBJECT MERCK PATENT GMBH (DE) 2019-09-19 WO claimed
WO-2019030302-A1 PHARMACEUTICAL PREPARATION COMPRISING 3-FLUORO-4-[7-METHOXY-3-METHYL-8-(1-METHYL-1 H-PYRAZOL-4-YL)-2-OXO-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1 -YL]-BENZONITRILE MERCK PATENT GMBH (DE) 2019-02-14 WO claimed
US-20230226041-A1 COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS MERCK PATENT GMBH (DE) 2023-07-20 US disclosed
US-20230226041-A1 COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS MERCK PATENT GMBH (DE) 2023-07-20 US disclosed
US-20230044248-A1 COMBINED INHIBITION OF PD-1, TGFBeta AND ATM TOGETHER WITH RADIOTHERAPY FOR THE TREATMENT OF CANCER ARES TRADING S.A. (CH) 2023-02-09 US disclosed
US-11478459-B2 Pharmaceutical preparation MERCK PATENT GMBH (DE) 2022-10-25 US disclosed
US-11478459-B2 Pharmaceutical preparation MERCK PATENT GMBH (DE) 2022-10-25 US disclosed
EP-2609082-B1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
EP-2609082-B1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-04 US disclosed
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-04 US disclosed
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-04 US disclosed
WO-2012028233-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2012-03-08 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 (6 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-20210353614-A1 COMPOUNDS AND USES THEREOF TO TREAT TUMORS IN A SUBJECT CD274, PDCD1, PDCD1LG2 ATM 456/4885PRKDC 2134/4885MTOR 195/4885
US-20230226041-A1 COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS ATM, MAVS, SARS1 ATM 1/4885PRKDC 3193/4885MTOR 168/4885
US-11478459-B2 Pharmaceutical preparation CYP3A7, CYP3A4, CYP4B1 ATM 4632/4885PRKDC 1776/4885MTOR 2463/4885
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors CHEK1, CHEK2, TTK ATM 7/4885PRKDC 170/4885MTOR 285/4885
US-20230044248-A1 COMBINED INHIBITION OF PD-1, TGFBeta AND ATM TOGETHER WITH RADIOTHERAPY FOR THE TREATMENT OF CANCER ATM, PDCD1, CD274 ATM 1/4885PRKDC 3060/4885MTOR 1175/4885
US-20200237733-A1 PHARMACEUTICAL PREPARATION CYP3A7, CYP3A4, CYP4B1 ATM 4632/4885PRKDC 1776/4885MTOR 2463/4885

“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.