SCHEMBL6856822

SCHEMBL6856822

CCN1CCCC1CNc1nc(Nc2cc[c]cc2)nc(NC2CCCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.44
CTSK P43235 4/20 0.44
RAB9A P51151 1/20 0.43
CTSL P07711 2/20 0.41
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL14268895 0.90 ACHE (0.47) CTSSCTSKRAB9AROCK1ALDH1A1
SCHEMBL4838626 0.89 RAB9A (0.57) CTSSCTSKRAB9ACTSLROCK1
SCHEMBL6861192 0.89 CTSS (0.39) CTSSCTSKRAB9ACTSLROCK1
SCHEMBL4839196 0.88 CTSS (0.61) CTSSCTSKRAB9ACTSLROCK1
SCHEMBL4832652 0.88 RAB9A (0.51) CTSSCTSKRAB9ACTSLROCK1
SCHEMBL14268811 0.88 RAB9A (0.46) CTSSCTSKRAB9ACTSLROCK1
SCHEMBL4836468 0.88 RAB9A (0.46) CTSSCTSKRAB9ACTSLROCK1
SCHEMBL4832892 0.88 HTR2C (0.48) CTSSCTSKRAB9ACTSLROCK1
SCHEMBL4829405 0.87 ADORA3 (0.46) CTSSCTSKRAB9ACTSLROCK1
SCHEMBL14274185 0.86 RAB9A (0.44) CTSSCTSKRAB9ACTSLROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US 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-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CTSS 1860/4885CTSK 2714/4885RAB9A 4709/4885

“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.