SCHEMBL2452980

SCHEMBL2452980

CN(C)c1nc(N)nc(NCCN2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
HTR1A P08908 5/20 0.40
DRD2 P14416 5/20 0.40
HTR2A P28223 5/20 0.40
HTR7 P34969 5/20 0.40
HTR6 P50406 5/20 0.40
PIM1 P11309 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC29A1 Q99808 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2A P11388 1/20 0.38

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
SCHEMBL2454477 0.88 SMN1; SMN2 (0.54) TLR8TLR7PIM1SMN1; SMN2MEN1
SCHEMBL5032352 0.86 HTR1A (0.50) TLR8TLR7HTR1ADRD2HTR2A
SCHEMBL30784981 0.85 HTR1A (0.51) TLR8TLR7HTR1ADRD2HTR2A
SCHEMBL14869530 0.77 CYP1A2 (0.42) SMN1; SMN2SLC29A1MEN1LMNAKMT2A
SCHEMBL30784994 0.75 HTR1A (0.52) TLR8TLR7HTR1ADRD2HTR2A
SCHEMBL30785003 0.75 MEN1 (0.52) SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL2453958 0.75 PGK1 (0.43) SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL14869529 0.74 SMN1; SMN2 (0.47) TLR8TLR7SMN1; SMN2SLC29A1MEN1
SCHEMBL2450969 0.74 L3MBTL1 (0.41) SMN1; SMN2LMNA
SCHEMBL19144867 0.74 CA1 (0.40) HTR7HTR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197858-B1 1,3,5-TRIAZINE-2,4,6-TRIAMINE COMPOUND OR PHARMACEUTICAL ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO LTD (KR) 2014-07-02 EP claimed
EP-2197858-B1 1,3,5-TRIAZINE-2,4,6-TRIAMINE COMPOUND OR PHARMACEUTICAL ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO LTD (KR) 2014-07-02 EP disclosed
US-8722674-B2 1,3,5-triazine-2,4,6-triamine compound or pharmaceutical acceptable salt thereof, and pharmaceutical composition comprising the same HANALL BIOPHARMA CO., LTD. (KR) 2014-05-13 US disclosed
CN-101796035-B 1,3,5-triazine-2,4,6-triamine compound or pharmaceutical acceptable salt thereof, and pharmaceutical composition comprising the same HANALL PHARMACEUTICAL CO LTD 2013-12-04 CN disclosed
US-20110237587-A1 1,3,5-Triazine-2,4,6-Triamine Compound or Pharmaceutical Acceptable Salt Thereof, and Pharmaceutical Composition Comprising the Same HANALL PHARMACEUTICAL COMPANY, LTD (KR) 2011-09-29 US disclosed
CN-101796035-A 1,3,5-triazine-2,4,6-triamine compound or pharmaceutical acceptable salt thereof, and pharmaceutical composition comprising the same HANALL PHARMACEUTICAL CO LTD 2010-08-04 CN 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-20110237587-A1 1,3,5-Triazine-2,4,6-Triamine Compound or Pharmaceutical Acceptable Salt Thereof, and Pharmaceutical Composition Comprising the Same TP53, TP53BP1, SLC5A1 TLR8 2210/4885TLR7 1571/4885HTR1A 1361/4885

“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.