SCHEMBL4524124

SCHEMBL4524124

CCCC1(CCC)Cc2ccccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TDP2 O95551 1/20 0.38
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
NR2F2 P24468 1/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
CYP2A6 P11509 1/20 0.36
PGK1 P00558 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
BIRC5 O15392 1/20 0.36
CYP1A2 P05177 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL4523165 0.91 SMN1; SMN2 (0.48) SMN1; SMN2TDP2PDGFRBPDGFRANR2F2
SCHEMBL4511543 0.87 NR2F2 (0.39) SMN1; SMN2TDP2PDGFRBPDGFRANR2F2
SCHEMBL4521707 0.86 TDP2 (0.40) SMN1; SMN2TDP2PDGFRBPDGFRANR2F2
SCHEMBL4517457 0.84 SMN1; SMN2 (0.41) SMN1; SMN2TDP2PDGFRBPDGFRANR2F2
SCHEMBL4524014 0.82 NR2F2 (0.41) SMN1; SMN2TDP2PDGFRBPDGFRANR2F2
SCHEMBL4522982 0.82 LMNA (0.50) SMN1; SMN2TDP2PDGFRBPDGFRANR2F2
SCHEMBL13506385 0.80 AKR1C3 (0.37) TDP2PDGFRBPDGFRANR2F2BRD4
SCHEMBL4517000 0.79 NR2F2 (0.40) TDP2PDGFRBPDGFRANR2F2BRD4
SCHEMBL4524132 0.78 NR2F2 (0.38) TDP2PDGFRBPDGFRANR2F2BRD4
SCHEMBL4524119 0.78 NR2F2 (0.41) TDP2PDGFRBPDGFRANR2F2BRD4

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 SMN1; SMN2 3685/4885TDP2 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.