SCHEMBL2456892

SCHEMBL2456892

CN(C)c1nc(N)nc(Nc2cccc(Br)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
IDH2 P48735 1/20 0.52
EGFR P00533 9/20 0.50
BRAF P15056 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NOD1 Q9Y239 1/20 0.44
AGPAT2 O15120 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
POLB P06746 1/20 0.43
KDR P35968 1/20 0.43
TERT O14746 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 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
SCHEMBL23130552 0.86 ALDH1A1 (0.55) ALDH1A1IDH2EGFRNPC1RAB9A
SCHEMBL2779096 0.85 BRAF (0.52) EGFRBRAFNPC1RAB9ANOD1
SCHEMBL2453133 0.84 RAB9A (0.61) ALDH1A1IDH2EGFRNPC1RAB9A
SCHEMBL14869865 0.83 KMT2A (0.56) ALDH1A1IDH2EGFRBRAFNPC1
SCHEMBL15841812 0.83 ALDH1A1 (0.53) ALDH1A1IDH2BRAFNPC1RAB9A
SCHEMBL15671751 0.82 ALDH1A1 (0.54) ALDH1A1IDH2NPC1RAB9AAGPAT2
SCHEMBL14869409 0.82 ALDH1A1 (0.77) ALDH1A1IDH2NPC1RAB9AMAPT
SCHEMBL28460977 0.80 IDH2 (0.82) ALDH1A1IDH2LMNAMAPT
SCHEMBL30490523 0.78 NFKB1 (0.53) EGFRBRAFNPC1RAB9ANOD1
SCHEMBL8764498 0.78 IDH2 (0.62) ALDH1A1IDH2EGFRPOLBTERT

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 5 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 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
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 1243/4885IDH2 450/4885EGFR 1425/4885

“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.