SCHEMBL4533930

SCHEMBL4533930

CC1(C)N=C(c2cnc3ccccc3c2)c2cccc(Br)c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.44
BIRC5 O15392 1/20 0.43
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
MAP4K4 O95819 1/20 0.39
CSNK1G2 P78368 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
TDP2 O95551 1/20 0.38
PDGFRB P09619 3/20 0.37
PDGFRA P16234 3/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 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
SCHEMBL4514372 0.86 NR2F2 (0.42) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL4506496 0.86 NR2F2 (0.42) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL4519131 0.84 NR2F2 (0.47) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL4529348 0.81 BIRC5 (0.47) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL4520655 0.81 BIRC5 (0.47) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL4510188 0.77 NR2F2 (0.43) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL4510805 0.77 NR2F2 (0.43) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL4403655 0.76 BIRC5 (0.44) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL29919936 0.76 BIRC5 (0.44) NR2F2BIRC5BRD4CREBBPMAP4K4
SCHEMBL4533085 0.76 NR2F2 (0.42) NR2F2BRD4CREBBPMAP4K4CSNK1G2

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 NR2F2 2146/4885BIRC5 435/4885BRD4 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.