SCHEMBL4527360

SCHEMBL4527360

CNC(=O)c1cccc2c1CC(C)(C)N=C2c1cnc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KDR P35968 3/20 0.39
MTOR P42345 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
SERPINE1 P05121 1/20 0.36
HSP90AA1 P07900 2/20 0.36
PLK1 P53350 1/20 0.36
ALOX5AP P20292 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL4508039 0.89 MAP4K4 (0.47) NR2F2MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4517529 0.89 AKR1C3 (0.43) NR2F2MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4518092 0.88 HSP90AA1 (0.45) NR2F2MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4526637 0.85 MAP4K4 (0.40) NR2F2MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4508379 0.83 MAP4K4 (0.38) NR2F2MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4508381 0.83 MAP4K4 (0.38) NR2F2MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4522002 0.82 POLB (0.43) AKR1C3AKR1C2KDRSERPINE1
SCHEMBL4516876 0.82 MAP4K4 (0.42) NR2F2MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4516345 0.82 KDR (0.47) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
Oxalic Acid SCHEMBL4521269 0.81 AKR1C3 (0.48) NR2F2MAP4K4CSNK1G2CLK4MKNK2

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
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 EP disclosed
US-7632783-B2 fungicides, pesticides for protecting rice crop, tomatoes, cucumbers and green beans; 3-(5-fluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoline MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-15 US disclosed
CN-100556904-C 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2009-11-04 CN disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
CN-1910172-A 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2007-02-07 CN disclosed
EP-1736471-A1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES Sankyo Agro Company, Limited (JP) 2006-12-27 EP 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 (1 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-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound QTRT1, RABL3, RECQL NR2F2 2146/4885MAP4K4 3051/4885CSNK1G2 2695/4885

“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.