SCHEMBL4516876

SCHEMBL4516876

CC(=O)Nc1cccc2c1CC(C)(C)N=C2c1cnc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
STAT1 P42224 1/20 0.38
MTOR P42345 1/20 0.38
NR2F2 P24468 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
BRD4 O60885 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
SCHEMBL4516345 0.89 KDR (0.47) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL4522002 0.86 POLB (0.43) NPC1RAB9AAKR1C3AKR1C2SMN1; SMN2
SCHEMBL4513529 0.86 KDM4E (0.43) NPC1RAB9AAKR1C3AKR1C2SMN1; SMN2
SCHEMBL4518645 0.86 SERPINE1 (0.44) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL4508039 0.85 MAP4K4 (0.47) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL4517529 0.82 AKR1C3 (0.43) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL4527360 0.82 NR2F2 (0.40) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL4518092 0.82 HSP90AA1 (0.45) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
Oxalic Acid SCHEMBL4521269 0.81 AKR1C3 (0.48) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL4529985 0.81 BIRC5 (0.42) 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 4 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
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 MAP4K4 3051/4885CSNK1G2 2695/4885CLK4 2948/4885

“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.