SCHEMBL167830

SCHEMBL167830

COc1cc2ncc3c(c2cc1O)n(-c1ccc(C#N)cc1F)c(=O)n3C

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.75
ATM Q13315 7/20 0.75
PDGFRB P09619 1/20 0.41
KCNH2 Q12809 5/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
AKT1 P31749 1/20 0.39
MTOR P42345 1/20 0.38
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
SCHEMBL20031059 0.93 PRKDC (0.77) PRKDCATM
SCHEMBL10059170 0.90 PRKDC (0.73) PRKDCATMKCNH2PIK3CDPIK3CA
SCHEMBL15064494 0.88 PRKDC (0.59) PRKDCATMPDGFRBKCNH2PIK3CD
SCHEMBL257265 0.88 ATM (0.78) PRKDCATMKCNH2PIK3CDPIK3CA
SCHEMBL176122 0.87 PRKDC (0.92) PRKDCATMPDGFRBKCNH2ATR
SCHEMBL257264 0.87 ATM (0.76) PRKDCATMKCNH2PIK3CDPIK3CA
SCHEMBL10060787 0.86 PRKDC (0.56) PRKDCATMPDGFRBPIK3CDPIK3CA
SCHEMBL256588 0.86 PRKDC (1.00) PRKDCATMKCNH2PIK3CDPIK3CA
SCHEMBL256590 0.86 ATM (0.78) PRKDCATMKCNH2MTOR
SCHEMBL29614884 0.86 ATM (1.00) PRKDCATMKCNH2PIK3CDPIK3CA

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 20 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
EP-2609082-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012028233-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2012-03-08 WO 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 7/4885PDGFRB 1281/4885
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors CHEK1, CHEK2, TTK PRKDC 170/4885ATM 7/4885PDGFRB 1281/4885
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS CHEK1, CHEK2, TTK PRKDC 170/4885ATM 7/4885PDGFRB 1281/4885

“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.