SCHEMBL4523901

SCHEMBL4523901

c1ccc2c(c1)CC1(CCCC1)N=C2c1cnc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
TDP2 O95551 1/20 0.40
CYP2A6 P11509 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
BIRC5 O15392 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
NR2F2 P24468 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
HTR3A P46098 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 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
SCHEMBL4521786 0.99 TDP2 (0.40) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4526682 0.99 TDP2 (0.40) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4521910 0.89 ATR (0.40) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4521931 0.88 NPC1 (0.41) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4519038 0.88 AKR1C3 (0.43) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4530842 0.87 AKR1C3 (0.42) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4524091 0.87 NPC1 (0.40) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4513546 0.86 TDP2 (0.39) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4530670 0.86 NPC1 (0.39) PDGFRBPDGFRATDP2CYP2A6NISCH
SCHEMBL4522211 0.86 TDP2 (0.39) PDGFRBPDGFRATDP2CYP2A6NISCH

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 PDGFRB 4549/4885PDGFRA 4233/4885TDP2 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.