SCHEMBL4523245

SCHEMBL4523245

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TDP2 O95551 1/20 0.39
PDGFRB P09619 3/20 0.39
PDGFRA P16234 3/20 0.39
CYP2A6 P11509 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 1/20 0.37
BIRC5 O15392 1/20 0.36
CYP1A2 P05177 1/20 0.36
NR2F2 P24468 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP4K5 Q9Y4K4 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
SCHEMBL4528138 0.91 NPC1 (0.40) AKR1C3AKR1C2NPC1MAPTRAB9A
SCHEMBL4526584 0.89 CYP1A2 (0.41) AKR1C3AKR1C2NPC1MAPTRAB9A
SCHEMBL4523539 0.89 AKR1C3 (0.41) AKR1C3AKR1C2NPC1MAPTRAB9A
SCHEMBL29352059 0.89 PDGFRB (0.41) AKR1C3AKR1C2TDP2PDGFRBPDGFRA
SCHEMBL4408718 0.89 PDGFRB (0.41) AKR1C3AKR1C2TDP2PDGFRBPDGFRA
SCHEMBL29353363 0.89 PDGFRB (0.41) AKR1C3AKR1C2TDP2PDGFRBPDGFRA
SCHEMBL4524039 0.88 BIRC5 (0.46) AKR1C3AKR1C2TDP2PDGFRBPDGFRA
SCHEMBL4514362 0.88 TDP2 (0.38) AKR1C3AKR1C2TDP2PDGFRBPDGFRA
SCHEMBL4523665 0.86 PDGFRB (0.39) AKR1C3AKR1C2NPC1RAB9ATDP2
SCHEMBL15911291 0.86 PDGFRB (0.40) AKR1C3AKR1C2NPC1MAPTRAB9A

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 AKR1C3 1232/4885AKR1C2 1859/4885NPC1 1802/4885

“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.