SCHEMBL2458049

SCHEMBL2458049

CN(C)c1nc(N)nc(NCc2cccnc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAD52 P43351 2/20 0.49
PKM P14618 1/20 0.49
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LTA4H P09960 1/20 0.47
OGA O60502 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44

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
SCHEMBL30784987 0.85 MEN1 (0.62) MEN1KMT2ANPSR1RAD52PKM
SCHEMBL30784980 0.85 MEN1 (0.62) MEN1KMT2ANPSR1RAD52PKM
SCHEMBL11757124 0.85 MEN1 (0.62) MEN1KMT2ANPSR1RAD52PKM
SCHEMBL14869452 0.84 NPSR1 (0.59) MEN1KMT2ATSHRSMN1; SMN2NPSR1
SCHEMBL10483510 0.82 MEN1 (0.63) MEN1KMT2ATSHRSMN1; SMN2RAD52
SCHEMBL15671740 0.77 CA1 (0.56) SMN1; SMN2NPSR1CA1CA2CA9
SCHEMBL14869750 0.76 ADORA2A (0.56) KMT2AALDH1A1CA1CA2CA9
SCHEMBL14869410 0.75 CA1 (0.56) CA1CA2CA9ADORA3ADORA2A
SCHEMBL10483467 0.74 RAD52 (0.54) MEN1KMT2ASMN1; SMN2RAD52PKM
SCHEMBL10483507 0.74 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1LTA4H

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
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
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

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 MEN1 715/4885KMT2A 1228/4885TSHR 790/4885

“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.