SCHEMBL4528138

SCHEMBL4528138

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 1/20 0.39
PDGFRB P09619 3/20 0.39
PDGFRA P16234 3/20 0.39
NR2F2 P24468 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
CYP2A6 P11509 1/20 0.37
TDP2 O95551 1/20 0.37
BIRC5 O15392 1/20 0.36
CYP1A2 P05177 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
SCHEMBL4523245 0.91 AKR1C3 (0.40) NPC1MAPTRAB9APIK3CDPIK3CA
SCHEMBL4513834 0.89 NPC1 (0.40) NPC1MAPTRAB9APIK3CDPIK3CA
SCHEMBL4408718 0.89 PDGFRB (0.41) PIK3CDPIK3CAPDGFRBPDGFRANR2F2
SCHEMBL29352059 0.89 PDGFRB (0.41) PIK3CDPIK3CAPDGFRBPDGFRANR2F2
SCHEMBL29353363 0.89 PDGFRB (0.41) PIK3CDPIK3CAPDGFRBPDGFRANR2F2
SCHEMBL4531039 0.88 BIRC5 (0.46) PIK3CDPIK3CAPDGFRBPDGFRANR2F2
SCHEMBL4522363 0.88 CNR1 (0.39) PIK3CDPIK3CAPDGFRBPDGFRANR2F2
SCHEMBL15911291 0.86 PDGFRB (0.40) NPC1MAPTRAB9APIK3CDPIK3CA
SCHEMBL4513995 0.85 AKR1C3 (0.38) NPC1MAPTRAB9APIK3CDPIK3CA
SCHEMBL4526584 0.82 CYP1A2 (0.41) NPC1MAPTRAB9APIK3CDPIK3CA

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 NPC1 1802/4885MAPT 4104/4885RAB9A 90/4885

“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.