SCHEMBL4518092

SCHEMBL4518092

CC1(C)Cc2c(C(N)=O)cccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.45
PARP1 P09874 3/20 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
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
NR2F2 P24468 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL4517529 0.91 AKR1C3 (0.43) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4508039 0.91 MAP4K4 (0.47) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4527360 0.88 NR2F2 (0.40) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4526637 0.86 MAP4K4 (0.40) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4508379 0.84 MAP4K4 (0.38) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4508381 0.84 MAP4K4 (0.38) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4521817 0.84 NR2F2 (0.40) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
Oxalic Acid SCHEMBL4521269 0.82 AKR1C3 (0.48) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4529985 0.82 BIRC5 (0.42) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL4527597 0.82 ALDH1A1 (0.49) MAP4K4CSNK1G2CLK4MKNK2MAP4K5

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 HSP90AA1 2066/4885PARP1 1368/4885MAP4K4 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.