SCHEMBL4526546

SCHEMBL4526546

N#Cc1ccc2c(c1)CC1(CCCCC1)N=C2c1cnc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
PDGFRB P09619 3/20 0.34
PDGFRA P16234 3/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
ALPL P05186 1/20 0.33
GRM5 P41594 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
CYP2A6 P11509 1/20 0.33
MET P08581 1/20 0.32
NR2F2 P24468 1/20 0.32
BIRC5 O15392 1/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL4530842 0.85 AKR1C3 (0.42) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4521786 0.85 TDP2 (0.40) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4526682 0.85 TDP2 (0.40) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4512390 0.84 BIRC5 (0.44) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4525297 0.84 ALDH1A1 (0.39) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4522211 0.84 TDP2 (0.39) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4519038 0.84 AKR1C3 (0.43) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4523901 0.84 PDGFRB (0.40) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4524091 0.79 NPC1 (0.40) TDP2AKR1C3AKR1C2NISCHPDGFRB
SCHEMBL4530670 0.78 NPC1 (0.39) TDP2AKR1C3AKR1C2NISCHPDGFRB

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 TDP2 1584/4885AKR1C3 1232/4885AKR1C2 1859/4885

“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.