SCHEMBL4518240

SCHEMBL4518240

COCc1cccc2c1CC(C)(C)N=C2c1cnc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.42
NR2F2 P24468 1/20 0.37
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
BIRC5 O15392 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP1A2 P05177 1/20 0.35
PDGFRB P09619 4/20 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
SCHEMBL4519717 0.88 NR2F2 (0.39) NR2F2BRD4CREBBPBIRC5ALDH1A1
SCHEMBL4523639 0.88 NR2F2 (0.41) NR2F2BRD4CREBBPBIRC5ALDH1A1
SCHEMBL4530857 0.87 NR2F2 (0.38) NR2F2BRD4CREBBPBIRC5ALDH1A1
SCHEMBL4522302 0.87 NR2F2 (0.38) NR2F2BRD4CREBBPBIRC5ALDH1A1
SCHEMBL4521649 0.85 MAP4K4 (0.38) NR2F2BRD4CREBBPALDH1A1SMN1; SMN2
SCHEMBL4400281 0.84 NR2F2 (0.40) NR2F2BRD4CREBBPBIRC5ALDH1A1
SCHEMBL29919550 0.84 NR2F2 (0.40) NR2F2BRD4CREBBPBIRC5ALDH1A1
SCHEMBL4529985 0.82 BIRC5 (0.42) NR2F2BRD4CREBBPBIRC5ALDH1A1
SCHEMBL4527597 0.82 ALDH1A1 (0.49) NR2F2BRD4CREBBPBIRC5ALDH1A1
SCHEMBL4405493 0.81 AKR1C3 (0.43) NR2F2BRD4CREBBPBIRC5ALDH1A1

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 CDK1 994/4885NR2F2 2146/4885BRD4 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.