SCHEMBL4521910

SCHEMBL4521910

c1ccc2c(c1)CC1(CCOCC1)N=C2c1cnc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.40
ATRIP Q8WXE1 2/20 0.40
TDP2 O95551 1/20 0.38
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
LRRK2 Q5S007 1/20 0.37
AKR1C3 P42330 2/20 0.36
CYP2A6 P11509 1/20 0.36
AKR1C2 P52895 1/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
BIRC5 O15392 1/20 0.36
NR2F2 P24468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL4523901 0.89 PDGFRB (0.40) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4521786 0.88 TDP2 (0.40) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4526682 0.88 TDP2 (0.40) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4523172 0.80 BRD4 (0.39) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4522982 0.79 LMNA (0.50) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4519038 0.78 AKR1C3 (0.43) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4521931 0.78 NPC1 (0.41) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4515024 0.78 NR2F2 (0.43) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4530842 0.77 AKR1C3 (0.42) TDP2PDGFRBPDGFRAAKR1C3CYP2A6
SCHEMBL4524091 0.77 NPC1 (0.40) TDP2PDGFRBPDGFRAAKR1C3CYP2A6

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 ATR 385/4885ATRIP 688/4885TDP2 1584/4885

“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.