SCHEMBL4524014

SCHEMBL4524014

CCC1(C)Cc2ccccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.41
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP2 O95551 2/20 0.39
LMNA P02545 1/20 0.39
PDGFRB P09619 3/20 0.39
PDGFRA P16234 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP2A6 P11509 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BIRC5 O15392 1/20 0.36
CYP1A2 P05177 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 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
SCHEMBL4511543 0.91 NR2F2 (0.39) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL4517000 0.89 NR2F2 (0.40) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL4522982 0.88 LMNA (0.50) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL4519265 0.87 NR2F2 (0.39) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL4522281 0.87 NR2F2 (0.39) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL4523165 0.87 SMN1; SMN2 (0.48) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL29919679 0.86 NR2F2 (0.38) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL4414472 0.86 NR2F2 (0.38) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL4524132 0.85 NR2F2 (0.38) NR2F2BRD4CREBBPALDH1A1TDP2
SCHEMBL4520502 0.83 AKR1C3 (0.41) NR2F2BRD4CREBBPTDP2PDGFRB

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 2146/4885BRD4 866/4885CREBBP 3955/4885

“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.