SCHEMBL2454536

SCHEMBL2454536

CC(C)Nc1nc(N)nc(N(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CTSK P43235 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 3/20 0.37
F2 P00734 1/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
CREBBP Q92793 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL8059674 0.81 GAA (0.58) ALDH1A1KMT2AGAAKDM4EHTT
SCHEMBL8059668 0.81 GAA (0.52) ALDH1A1KMT2AGAAKDM4EHTT
Hydrochloric Acid SCHEMBL11478940 0.79 GAA (0.50) ALDH1A1KMT2AGAAKDM4EHTT
SCHEMBL32675859 0.78 LMNA (0.42) ALDH1A1KMT2AGAAKDM4EMAPT
SCHEMBL60190 0.78 LMNA (0.42) ALDH1A1KMT2AGAAKDM4EMAPT
SCHEMBL11405615 0.77 GAA (0.67) ALDH1A1KMT2AGAAKDM4EHTT
SCHEMBL28455357 0.75 TSHR (0.60) ALDH1A1KMT2AGAAKDM4EMAPT
Methylamine SCHEMBL17309971 0.74 PDE4A (0.40) ALDH1A1KMT2AGAAKDM4EMAPT
SCHEMBL11689352 0.74 ALDH1A1 (1.00) ALDH1A1KMT2AGAAKDM4EHTT
SCHEMBL26079893 0.74 GAA (0.45) ALDH1A1KMT2AGAAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
EP-2197858-A2 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) 2010-06-23 EP disclosed
WO-2009028891-A2 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) 2009-03-05 WO 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 ALDH1A1 1243/4885KMT2A 1228/4885GAA 3657/4885

“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.