SCHEMBL256591

SCHEMBL256591

COc1cc2ncc3c(c2cc1-c1ccn[nH]1)n(-c1ccc(C#N)cc1F)c(=O)n3C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.74
ATM Q13315 7/20 0.72
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CG P48736 3/20 0.37
AKT1 P31749 1/20 0.37
KCNH2 Q12809 5/20 0.36
MTOR P42345 2/20 0.36
AXL P30530 1/20 0.35
CSNK2A2 P19784 1/20 0.35
FECH P22830 1/20 0.35
CLK1 P49759 1/20 0.35
GSK3A P49840 1/20 0.35
DYRK1A Q13627 1/20 0.35
MELK Q14680 1/20 0.35
MYLK3 Q32MK0 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
TP53RK Q96S44 1/20 0.35

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
SCHEMBL20031059 0.87 PRKDC (0.77) PRKDCATM
SCHEMBL256590 0.87 ATM (0.78) PRKDCATMKCNH2MTOR
SCHEMBL167830 0.85 PRKDC (0.75) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL256588 0.85 PRKDC (1.00) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL257264 0.84 ATM (0.76) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL10059170 0.84 PRKDC (0.73) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL257266 0.83 ATM (1.00) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL29614884 0.83 ATM (1.00) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL257265 0.83 ATM (0.78) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL166632 0.83 ATM (0.76) PRKDCATMPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166567-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-06-15 US disclosed
US-20170166567-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-06-15 US disclosed
US-20170166567-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-06-15 US disclosed
US-9598408-B2 Imidazo[4,5-C]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-03-21 US disclosed
US-9598408-B2 Imidazo[4,5-C]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-03-21 US disclosed
US-9598408-B2 Imidazo[4,5-C]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-03-21 US disclosed
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-07-23 US disclosed
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-07-23 US disclosed
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-07-23 US disclosed
US-9000153-B2 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GMBH (DE) 2015-04-07 US disclosed
US-9000153-B2 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GMBH (DE) 2015-04-07 US disclosed
US-9000153-B2 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GMBH (DE) 2015-04-07 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 (3 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-20170166567-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS CHEK1, CHEK2, TTK PRKDC 170/4885ATM 7/4885PIK3CD 416/4885
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors CHEK1, CHEK2, TTK PRKDC 170/4885ATM 7/4885PIK3CD 416/4885
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS CHEK1, CHEK2, TTK PRKDC 170/4885ATM 7/4885PIK3CD 416/4885

“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.