SCHEMBL4837895

SCHEMBL4837895

NCC1CCC(Nc2nc(Nc3ccc(O)c(F)c3)nc(NC3CCCCCC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
S1PR1 P21453 1/20 0.44
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CTSV O60911 1/20 0.42
PLAT P00750 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSH P09668 1/20 0.42
CASP14 P31944 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP6 P55212 1/20 0.42
CTSZ Q9UBR2 1/20 0.42

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
SCHEMBL14268519 0.87 RAB9A (0.49) RAB9ACTSSCTSKCTSVPLAT
SCHEMBL4838475 0.85 RAB9A (0.44) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL4829670 0.84 RAB9A (0.46) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL5556198 0.84 GALR1 (0.53) RAB9ACTSSCTSKCTSL
SCHEMBL14294391 0.84 RAB9A (0.62) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL14293956 0.84 RAB9A (0.53) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL14294421 0.83 RAB9A (0.46) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL4829395 0.83 CTSS (0.53) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL14294400 0.83 ROCK1 (0.52) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL14293969 0.82 RAB9A (0.46) RAB9AS1PR1CTSSCTSKCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 US 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 (3 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS RAB9A 4709/4885S1PR1 1423/4885CTSS 1860/4885
US-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS RAB9A 4709/4885S1PR1 1423/4885CTSS 1860/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 RAB9A 4800/4885S1PR1 2244/4885CTSS 2220/4885

“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.