SCHEMBL4523172

SCHEMBL4523172

CC1CCC2(Cc3ccccc3C(c3cnc4ccccc4c3)=N2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
TDP2 O95551 1/20 0.36
NR2F2 P24468 1/20 0.35
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
PFKFB3 Q16875 1/20 0.35
HTR3A P46098 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CYP2A6 P11509 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
FASN P49327 1/20 0.33
BIRC5 O15392 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33

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
SCHEMBL4523901 0.83 PDGFRB (0.40) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL4521786 0.82 TDP2 (0.40) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL4526682 0.82 TDP2 (0.40) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL4521910 0.80 ATR (0.40) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL4522982 0.78 LMNA (0.50) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL4526857 0.77 NR2F2 (0.41) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL29919746 0.77 NR2F2 (0.41) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL4523165 0.75 SMN1; SMN2 (0.48) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL4524119 0.74 NR2F2 (0.41) BRD4CREBBPTDP2NR2F2PDGFRB
SCHEMBL4515024 0.74 NR2F2 (0.43) BRD4CREBBPTDP2NR2F2PDGFRB

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 4 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
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US 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 BRD4 866/4885CREBBP 3955/4885TDP2 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.