SCHEMBL4519923

SCHEMBL4519923

CC1(C)N=C(c2cnc3ccccc3c2)c2cccc(F)c2C1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
BIRC5 O15392 1/20 0.37
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
CYP2A6 P11509 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
FASN P49327 1/20 0.35
RORC P51449 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
MBNL1 Q9NR56 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
SCHEMBL29919736 0.88 BRD4 (0.41) AKR1C3AKR1C2BRD4CREBBPBIRC5
SCHEMBL327759 0.88 BRD4 (0.41) AKR1C3AKR1C2BRD4CREBBPBIRC5
SCHEMBL4525997 0.88 BRD4 (0.41) AKR1C3AKR1C2BRD4CREBBPBIRC5
SCHEMBL4524277 0.87 AKR1C3 (0.43) AKR1C3AKR1C2BRD4CREBBPBIRC5
SCHEMBL4527806 0.85 HCRTR1 (0.38) AKR1C3AKR1C2BRD4CREBBPBIRC5
SCHEMBL4508496 0.79 BRD4 (0.41) BRD4CREBBPBIRC5PDGFRBPDGFRA
SCHEMBL318061 0.78 AKR1C3 (0.41) AKR1C3AKR1C2BRD4CREBBPBIRC5
SCHEMBL29352004 0.78 AKR1C3 (0.41) AKR1C3AKR1C2BRD4CREBBPBIRC5
SCHEMBL27652373 0.78 AKR1C3 (0.36) AKR1C3AKR1C2BRD4CREBBPBIRC5
SCHEMBL322332 0.77 AKR1C3 (0.43) AKR1C3AKR1C2BRD4CREBBPBIRC5

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 AKR1C3 1232/4885AKR1C2 1859/4885BRD4 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.