SCHEMBL5550419

SCHEMBL5550419

CCN1CCCC1CN(CC1CCNCC1)c1nc(N)nc(Oc2ccc(OC)c(F)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.33
DRD2 P14416 6/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CA2 P00918 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
CA9 Q16790 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL6429666 0.93 PIK3CD (0.34) MAPTALDH1A1PIK3CDDRD2CA2
SCHEMBL6231144 0.81 SIGMAR1 (0.31) ALDH1A1DRD2KDM4E
SCHEMBL5550424 0.77 MEN1 (0.32) MEN1KMT2ATLR9TLR8TLR7
SCHEMBL4837115 0.77 DRD2 (0.43) DRD2DRD3
SCHEMBL5553491 0.76 GALR1 (0.46) DRD2
SCHEMBL5549889 0.75 GALR1 (0.45) MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL6229485 0.73 GALR1 (0.41) DRD2
SCHEMBL6612950 0.72 DRD2 (0.33) MAPTDRD2CA2DRD1DRD4
SCHEMBL6231327 0.72 DRD2 (0.35) MAPTALDH1A1DRD2CA2DRD1
SCHEMBL6429669 0.72 MEN1 (0.34) MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed

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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 MAPT 3475/4885ALDH1A1 4548/4885PIK3CD 1898/4885

“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.