SCHEMBL4521710

SCHEMBL4521710

CC1(C)Cc2ccc(Br)cc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.47
NR2F2 P24468 1/20 0.42
TDP2 O95551 2/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE4B Q07343 1/20 0.38
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
CYP2A6 P11509 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
CYP1A2 P05177 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
MITF O75030 1/20 0.35
NSD2 O96028 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4526559 0.91 BIRC5 (0.47) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL4531880 0.87 CYP1A2 (0.42) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL4529286 0.87 NPC1 (0.42) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL4522982 0.87 LMNA (0.50) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL4527844 0.86 TDP2 (0.41) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL15910585 0.86 LMNA (0.43) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL15910479 0.86 LMNA (0.43) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL4533531 0.80 CYP1A2 (0.42) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL4521246 0.80 AKR1C3 (0.44) BIRC5NR2F2TDP2LMNAALDH1A1
SCHEMBL20300703 0.80 LMNA (0.39) TDP2LMNAALDH1A1PDE4BCYP1A2

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 BIRC5 435/4885NR2F2 2146/4885TDP2 1584/4885

“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.