SCHEMBL4986709

SCHEMBL4986709

COc1cc2cc3c(=O)[nH]cnc3cc2cc1OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.54
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
FYN P06241 1/20 0.51
LYN P07948 1/20 0.51
KDM1A O60341 1/20 0.47
PDPK1 O15530 1/20 0.46
ADORA2A P29274 2/20 0.46
EPHA2 P29317 1/20 0.46
KDR P35968 1/20 0.46
EPHB4 P54760 1/20 0.46
SYK P43405 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAP3K11 Q16584 1/20 0.44

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
SCHEMBL7209967 0.93 KDR (0.52) SRCEGFRKDM1APDPK1EPHA2
SCHEMBL1734721 0.88 KDM1A (0.57) SRCABL1EGFRERBB2LYN
SCHEMBL29478513 0.88 KDM1A (0.57) SRCABL1EGFRERBB2LYN
SCHEMBL829762 0.88 KDM1A (0.57) SRCABL1EGFRERBB2LYN
SCHEMBL29478512 0.88 KDM1A (0.57) SRCABL1EGFRERBB2LYN
Hydrochloric Acid SCHEMBL4378504 0.87 KDM1A (0.56) SRCABL1EGFRERBB2LYN
Hydrochloric Acid SCHEMBL27988356 0.87 KDM1A (0.56) SRCABL1EGFRERBB2LYN
SCHEMBL5498950 0.83 EHMT2 (0.54) EGFREPHA2KDREPHB4
SCHEMBL4380551 0.82 EHMT2 (0.53) EGFREPHA2KDREPHB4
SCHEMBL7215157 0.82 EGFR (0.48) SRCEGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2008-07-17 US disclosed
US-7365197-B2 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines WYETH (US) 2008-04-29 US disclosed
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines WYETH 2006-02-23 US disclosed
EP-1345889-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO G]QUINOLINE-3-CARBONITRILES AND BENZO G]QUINAZOLINES Wyeth (US) 2003-09-24 EP disclosed
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines AMERICAN HOME PRODUCTS CORPORATION 2002-07-11 US disclosed
WO-2002053528-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2002-07-11 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-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES PDXK, PKD1, GLS SRC 1554/4885ABL1 210/4885EGFR 1517/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS SRC 1554/4885ABL1 210/4885EGFR 1517/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP SRC 1645/4885ABL1 224/4885EGFR 1539/4885

“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.