SCHEMBL4512960

SCHEMBL4512960

CC(=NOCc1ccccc1)c1cccc2c1CC(C)(C)N=C2c1cnc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.40
ALOX5 P09917 1/20 0.34
MAP4K4 O95819 1/20 0.33
CSNK1G2 P78368 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CA12 O43570 1/20 0.33
NR2F2 P24468 1/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
HSP90AA1 P07900 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 2/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31

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
SCHEMBL4512955 1.00 MET (0.40) METALOX5MAP4K4CSNK1G2CLK4
SCHEMBL4517743 0.91 MET (0.36) METMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4517745 0.91 MET (0.36) METMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4527975 0.88 AKR1C3 (0.37) METMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4527971 0.88 AKR1C3 (0.37) METMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4524035 0.87 MAP4K4 (0.36) METMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4524032 0.87 MAP4K4 (0.36) METMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4525963 0.85 MAP4K4 (0.35) METMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4525959 0.85 MAP4K4 (0.35) METMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4508379 0.84 MAP4K4 (0.38) METMAP4K4CSNK1G2CLK4MKNK2

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 3 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
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US 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 MET 4497/4885ALOX5 3291/4885MAP4K4 3051/4885

“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.