SCHEMBL4507112

SCHEMBL4507112

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.42
PDGFRB P09619 6/20 0.39
PDGFRA P16234 6/20 0.39
MAP4K1 Q92918 3/20 0.36
NQO2 P16083 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ORAI1 Q96D31 1/20 0.33

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
SCHEMBL29432957 0.89 ABCB1 (0.39) ALOX5APFEN1NPC1
SCHEMBL4412921 0.89 ABCB1 (0.39) ALOX5APFEN1NPC1
SCHEMBL29919696 0.85 MGAM (0.36) ALOX5APFEN1NPC1
SCHEMBL4416025 0.85 MGAM (0.36) ALOX5APFEN1NPC1
SCHEMBL29352004 0.82 AKR1C3 (0.41) PDGFRBPDGFRANPC1RAB9A
SCHEMBL318061 0.82 AKR1C3 (0.41) PDGFRBPDGFRANPC1RAB9A
SCHEMBL4512861 0.81 HPGDS (0.40) HPGDSPDGFRBPDGFRAMAP4K1TP53
Hydrochloric Acid SCHEMBL4531372 0.81 AKR1C3 (0.41) PDGFRBPDGFRANPC1RAB9A
SCHEMBL4525440 0.80 HPGDS (0.40) HPGDSPDGFRBPDGFRAMAP4K1ALOX5AP
SCHEMBL4507256 0.80 L3MBTL1 (0.39) PDGFRBPDGFRANPC1RAB9APDE10A

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 6 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
CN-100556904-C 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2009-11-04 CN disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
CN-1910172-A 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2007-02-07 CN 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.