SCHEMBL168494

SCHEMBL168494

COc1cc2ncc([N+](=O)[O-])c(Cl)c2cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
PDPK1 O15530 1/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL31554570 1.00 PIN1 (0.49) PIN1ABCG2PDPK1PDGFRBPDGFRA
SCHEMBL31554583 0.87 ABCG2 (0.48) ABCG2PDPK1PDGFRBPDGFRA
SCHEMBL246700 0.86 PDGFRB (0.49) PIN1ABCG2PDGFRBPDGFRA
SCHEMBL29744240 0.86 PDGFRB (0.49) PIN1ABCG2PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL26102510 0.85 PDGFRB (0.48) PIN1ABCG2PDGFRBPDGFRA
SCHEMBL28826672 0.82 ENPP1 (0.43) ABCG2PDGFRBPDGFRA
SCHEMBL19645707 0.82 PDGFRB (0.53) PDPK1PDGFRBPDGFRA
SCHEMBL31554474 0.81 PDGFRB (0.52) PDPK1PDGFRBPDGFRA
SCHEMBL31554584 0.81 PDPK1 (0.54) PDPK1PDGFRBPDGFRA
SCHEMBL2063193 0.81 PDGFRB (0.52) PDPK1PDGFRBPDGFRA

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 19 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-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-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
EP-2588457-B1 PYRAZOLOQUINOLINE DERIVATIVES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2014-11-05 EP disclosed
US-8802712-B2 Pyrazoloquinolines MERCK PATENT GMBH (DE) 2014-08-12 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
US-20130150359-A1 PYRAZOLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
EP-2588457-A1 PYRAZOLO-QUINOLINES Merck Patent GmbH (DE) 2013-05-08 EP disclosed
WO-2012028233-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed
WO-2012000632-A1 PYRAZOLO-QUINOLINES MERCK PATENT GMBH (DE) 2012-01-05 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 (4 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 PIN1 1280/4885ABCG2 1050/4885PDPK1 49/4885
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors CHEK1, CHEK2, TTK PIN1 1280/4885ABCG2 1050/4885PDPK1 49/4885
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS CHEK1, CHEK2, TTK PIN1 1280/4885ABCG2 1050/4885PDPK1 49/4885
US-20130150359-A1 PYRAZOLOQUINOLINES PLK1, PKN3, PKN1 PIN1 589/4885ABCG2 814/4885PDPK1 67/4885

“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.