SCHEMBL4522226

SCHEMBL4522226

Cc1cccc2c1CC1(CCCCC1)N=C2c1cnc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
BIRC5 O15392 1/20 0.36
CYP1A2 P05177 1/20 0.36
NR2F2 P24468 1/20 0.36
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 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
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
TDP2 O95551 1/20 0.34

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
SCHEMBL4509119 0.87 AKR1C3 (0.41) PARP10PARP11BRD4CREBBPBIRC5
SCHEMBL4520822 0.86 AKR1C3 (0.42) PARP10PARP11BRD4CREBBPBIRC5
SCHEMBL4524180 0.86 BIRC5 (0.37) PARP10PARP11BRD4CREBBPBIRC5
SCHEMBL4527597 0.84 ALDH1A1 (0.49) PARP10PARP11BRD4CREBBPBIRC5
SCHEMBL4521786 0.83 TDP2 (0.40) BRD4CREBBPBIRC5NR2F2PDGFRB
SCHEMBL4526682 0.83 TDP2 (0.40) BRD4CREBBPBIRC5NR2F2PDGFRB
SCHEMBL4523901 0.82 PDGFRB (0.40) BRD4CREBBPBIRC5NR2F2PDGFRB
SCHEMBL4525297 0.80 ALDH1A1 (0.39) PARP10PARP11BRD4CREBBPBIRC5
SCHEMBL4530670 0.80 NPC1 (0.39) PARP10PARP11BRD4CREBBPBIRC5
SCHEMBL23265376 0.77 GRIN2B (0.33) ALDH1A1KDM4E

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 PARP10 1935/4885PARP11 588/4885BRD4 866/4885

“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.