SCHEMBL168459

SCHEMBL168459

COc1cc2ncc([N+](=O)[O-])c(Nc3ccc(C#N)cc3F)c2cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
SRC P12931 2/20 0.49
ERBB2 P04626 2/20 0.49
KDR P35968 3/20 0.47
FGFR1 P11362 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46

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
SCHEMBL168060 0.86 EGFR (0.52) EGFRSRCERBB2KDRFGFR1
SCHEMBL168460 0.86 ALDH1A1 (0.40)
SCHEMBL6384016 0.78 SRC (0.81) EGFRSRCERBB2KDRFLT1
SCHEMBL249905 0.78 MEN1 (0.45) EGFRSRCKDR
Hydrochloric Acid SCHEMBL6384369 0.77 SRC (0.80) EGFRSRCERBB2KDRFLT1
SCHEMBL248993 0.76 EGFR (0.43) EGFRSRCKDR
SCHEMBL31439366 0.75 KAT2B (0.38) EGFRSRCERBB2
SCHEMBL168494 0.74 PIN1 (0.49)
SCHEMBL31554570 0.74 PIN1 (0.49)
SCHEMBL31554583 0.74 ABCG2 (0.48) EGFR

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 8 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-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-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
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

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 EGFR 705/4885SRC 1098/4885ERBB2 660/4885
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors CHEK1, CHEK2, TTK EGFR 705/4885SRC 1098/4885ERBB2 660/4885
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS CHEK1, CHEK2, TTK EGFR 705/4885SRC 1098/4885ERBB2 660/4885

“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.