SCHEMBL4529985

SCHEMBL4529985

CC1(C)Cc2c(cccc2-c2ccccc2)C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.42
MAP4K4 O95819 1/20 0.41
CSNK1G2 P78368 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
NR2F2 P24468 1/20 0.41
CYP2A6 P11509 1/20 0.40
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PDGFRB P09619 3/20 0.39
PDGFRA P16234 3/20 0.39
MET P08581 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37

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
SCHEMBL4527597 0.88 ALDH1A1 (0.49) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL29919936 0.87 BIRC5 (0.44) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL29678248 0.87 AKR1C3 (0.43) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4516673 0.87 PDGFRB (0.41) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4400281 0.87 NR2F2 (0.40) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL29919550 0.87 NR2F2 (0.40) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4405493 0.87 AKR1C3 (0.43) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4521817 0.87 NR2F2 (0.40) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4403655 0.87 BIRC5 (0.44) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4521640 0.87 PDGFRB (0.54) BIRC5MAP4K4CSNK1G2CLK4MKNK2

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 BIRC5 435/4885MAP4K4 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.