SCHEMBL2452995

SCHEMBL2452995

CN(C)c1nc(N)nc(Nc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
KLF5 Q13887 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CDK9 P50750 1/20 0.43
BCL6 P41182 1/20 0.43
TAAR1 Q96RJ0 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
SCHEMBL14869409 0.91 ALDH1A1 (0.77) ALDH1A1CA1CA2CA9GAA
SCHEMBL15671751 0.82 ALDH1A1 (0.54) ALDH1A1CA1CA2CA9GAA
SCHEMBL14869745 0.82 LMNA (0.55) ALDH1A1CA1CA2CA9GAA
SCHEMBL2453813 0.82 GAA (0.73) ALDH1A1CA1CA2CA9GAA
SCHEMBL2452826 0.80 ALDH1A1 (0.49) ALDH1A1GAATSHRSMN1; SMN2NPSR1
SCHEMBL2454053 0.79 ALDH1A1 (0.51) ALDH1A1CA1CA2CA9GAA
SCHEMBL15671741 0.79 MAPT (0.60) ALDH1A1CA1CA2CA9GAA
SCHEMBL15671750 0.79 NFKB1 (0.54) ALDH1A1CA1CA2CA9GAA
SCHEMBL10099647 0.79 ALDH1A1 (0.92) ALDH1A1CA1CA2CA9GAA
SCHEMBL14264138 0.79 ALDH1A1 (1.00) ALDH1A1CA1CA2CA9GAA

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 12 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
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 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 claimed
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US disclosed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP disclosed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US disclosed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO disclosed
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 (3 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 1243/4885CA1 3191/4885CA2 1978/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 ALDH1A1 941/4885CA1 965/4885CA2 1413/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 ALDH1A1 935/4885CA1 986/4885CA2 1449/4885

“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.