SCHEMBL5032352

SCHEMBL5032352

Nc1nc(N)nc(NCCN2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.50
DRD2 P14416 10/20 0.50
HTR2A P28223 10/20 0.50
HTR7 P34969 10/20 0.50
HTR6 P50406 10/20 0.50
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
PIM1 P11309 1/20 0.43
SLC29A1 Q99808 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30784981 0.98 HTR1A (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2452980 0.86 TLR8 (0.41) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL30784994 0.84 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL30740023 0.81 HTT (0.56) KDM4EMEN1LMNAKMT2A
SCHEMBL30785003 0.81 MEN1 (0.52) MEN1LMNAKMT2A
SCHEMBL1308939 0.79 LMNA (0.51) PIM1LMNA
SCHEMBL8413067 0.76 HTR2B (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL13406345 0.76 SIGMAR1 (0.45) PIM1MEN1LMNAKMT2A
SCHEMBL8468231 0.75 PIM1 (0.47) PIM1MEN1KMT2A
SCHEMBL30784986 0.75 HTR1A (0.60) HTR1ADRD2HTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 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 (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-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS HTR1A 3602/4885DRD2 4772/4885HTR2A 1479/4885

“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.