SCHEMBL4524039

SCHEMBL4524039

CC1(C)N=C(c2cnc3ccccc3c2)c2ccc(Br)cc2C1(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.46
TDP2 O95551 1/20 0.38
PDGFRB P09619 3/20 0.37
PDGFRA P16234 3/20 0.37
NR2F2 P24468 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
CYP2A6 P11509 1/20 0.36
CYP1A2 P05177 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4531039 0.91 BIRC5 (0.46) BIRC5TDP2PDGFRBPDGFRANR2F2
SCHEMBL4523245 0.88 AKR1C3 (0.40) BIRC5TDP2PDGFRBPDGFRANR2F2
SCHEMBL4526584 0.87 CYP1A2 (0.41) BIRC5TDP2PDGFRBPDGFRANR2F2
SCHEMBL29353363 0.87 PDGFRB (0.41) BIRC5TDP2PDGFRBPDGFRANR2F2
SCHEMBL4408718 0.87 PDGFRB (0.41) BIRC5TDP2PDGFRBPDGFRANR2F2
SCHEMBL29352059 0.87 PDGFRB (0.41) BIRC5TDP2PDGFRBPDGFRANR2F2
SCHEMBL15959849 0.86 BIRC5 (0.38) BIRC5PDGFRBPDGFRANR2F2CYP1A2
SCHEMBL15910841 0.86 BIRC5 (0.38) BIRC5PDGFRBPDGFRANR2F2
SCHEMBL4514362 0.86 TDP2 (0.38) BIRC5TDP2PDGFRBPDGFRANR2F2
SCHEMBL4523665 0.84 PDGFRB (0.39) TDP2PDGFRBPDGFRAAKR1C3AKR1C2

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 BIRC5 435/4885TDP2 1584/4885PDGFRB 4549/4885

“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.