SCHEMBL4525440

SCHEMBL4525440

COc1cccc2cc(C3=NC(C)(C)C(C)c4c(F)cccc43)cnc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.40
PDGFRB P09619 3/20 0.37
PDGFRA P16234 3/20 0.37
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MAP4K1 Q92918 4/20 0.35
ORAI1 Q96D31 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GRM5 P41594 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
SCHEMBL4525591 0.86 ABL1 (0.35)
SCHEMBL4525997 0.82 BRD4 (0.41) PDGFRBPDGFRAHCRTR1HCRTR2
SCHEMBL27672572 0.81 HPGDS (0.39) HPGDSPDGFRBPDGFRAMAP4K1ORAI1
SCHEMBL4507112 0.80 HPGDS (0.42) HPGDSPDGFRBPDGFRAMAP4K1ORAI1
SCHEMBL4512861 0.78 HPGDS (0.40) HPGDSPDGFRBPDGFRAMAP4K1ORAI1
SCHEMBL20301306 0.74 NPC1 (0.43)
SCHEMBL4527806 0.73 HCRTR1 (0.38) PDGFRBPDGFRAHCRTR1HCRTR2
SCHEMBL20301317 0.73 NPC1 (0.33)
SCHEMBL20300797 0.72 NPC1 (0.41)
SCHEMBL4518567 0.72 LMNA (0.44) HPGDSPDGFRBPDGFRA

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 HPGDS 4660/4885PDGFRB 4549/4885PDGFRA 4233/4885

“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.