SCHEMBL4528218

SCHEMBL4528218

CC1(C)N=C(c2cnc3ccccc3c2)c2cc(Cl)ccc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PDGFRB P09619 4/20 0.39
PDGFRA P16234 4/20 0.39
NR2F2 P24468 1/20 0.38
CYP2A6 P11509 1/20 0.37
SERPINE1 P05121 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
TDP2 O95551 1/20 0.37
BIRC5 O15392 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP1A2 P05177 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL4530813 0.91 TDP2 (0.39) CNR1CNR2PDGFRBPDGFRANR2F2
SCHEMBL4522363 0.88 CNR1 (0.39) CNR1CNR2PDGFRBPDGFRANR2F2
SCHEMBL4531500 0.87 CYP1A2 (0.43) PDGFRBPDGFRANR2F2CYP2A6TDP2
SCHEMBL4513834 0.87 NPC1 (0.40) CNR1CNR2PDGFRBPDGFRANR2F2
SCHEMBL4402621 0.86 PDGFRB (0.43) PDGFRBPDGFRANR2F2CYP2A6TDP2
SCHEMBL4514362 0.81 TDP2 (0.38) CNR1CNR2PDGFRBPDGFRANR2F2
SCHEMBL4532294 0.81 BIRC5 (0.41) CNR1CNR2PDGFRBPDGFRANR2F2
SCHEMBL4527844 0.80 TDP2 (0.41) CNR1CNR2PDGFRBPDGFRANR2F2
SCHEMBL4513195 0.80 CYP1A2 (0.43) PDGFRBPDGFRANR2F2CYP2A6TDP2
SCHEMBL4523539 0.80 AKR1C3 (0.41) CNR1CNR2PDGFRBPDGFRANR2F2

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 CNR1 1548/4885CNR2 3088/4885PDGFRB 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.