SCHEMBL5010953

SCHEMBL5010953

c1ccc(Nc2ncnc3cc4ccccc4cc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.74
EGFR P00533 14/20 0.65
CLK4 Q9HAZ1 2/20 0.65
DAPK3 O43293 1/20 0.65
MAP4K4 O95819 1/20 0.65
ABL1 P00519 1/20 0.65
ERBB2 P04626 1/20 0.65
PIM1 P11309 1/20 0.65
PRKACA P17612 1/20 0.65
LTK P29376 1/20 0.65
MAPK8 P45983 1/20 0.65
CSNK1A1 P48729 1/20 0.65
RPS6KA3 P51812 1/20 0.65
LIMK1 P53667 1/20 0.65
MAP2K1 Q02750 1/20 0.65
ACVR1 Q04771 1/20 0.65
TYRO3 Q06418 1/20 0.65
MAP4K2 Q12851 1/20 0.65
ROCK1 Q13464 1/20 0.65
DYRK1A Q13627 1/20 0.65

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
SCHEMBL4348523 0.85 FBP1 (1.00) FBP1EGFRABL1ERBB2MAPK14
SCHEMBL31061549 0.85 FBP1 (1.00) FBP1EGFRABL1ERBB2MAPK14
Hydrochloric Acid SCHEMBL7218078 0.84 FBP1 (0.97) FBP1EGFRABL1ERBB2MAPK14
SCHEMBL1985296 0.83 EGFR (0.74) EGFRCLK4DAPK3MAP4K4ABL1
Hydrochloric Acid SCHEMBL8896369 0.83 EGFR (0.73) FBP1EGFRCLK4ERBB2AURKB
SCHEMBL4356364 0.82 EGFR (0.69) FBP1EGFRDAPK3ABL1ERBB2
Hydrochloric Acid SCHEMBL7665701 0.81 EGFR (0.67) FBP1EGFRDAPK3ABL1ERBB2
SCHEMBL8920 0.79 EGFR (1.00) EGFRCLK4DAPK3MAP4K4ABL1
SCHEMBL29941271 0.79 EGFR (1.00) EGFRCLK4DAPK3MAP4K4ABL1
SCHEMBL30513 0.79 EGFR (1.00) EGFRCLK4DAPK3MAP4K4ABL1

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 FBP1 1842/4885EGFR 1517/4885CLK4 37/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS FBP1 1842/4885EGFR 1517/4885CLK4 37/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP FBP1 2102/4885EGFR 1539/4885CLK4 38/4885

“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.