SCHEMBL2453047

SCHEMBL2453047

CN(C)c1nc(N)nc(N2CCCCCC2)n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ HRH4 Q9H3N8 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15671736 0.98 HRH4 (0.44) ALDH1A1TP53HRH4SMN1; SMN2KMT2A
SCHEMBL1966112 0.84 HRH4 (0.64) HRH4
SCHEMBL5033361 0.82 ALDH1A1 (0.54) ALDH1A1HRH4SMN1; SMN2KMT2AMEN1
SCHEMBL10494023 0.82 SMN1; SMN2 (0.58) ALDH1A1TP53HRH4SMN1; SMN2KMT2A
SCHEMBL4445737 0.82 ALDH1A1 (0.54) ALDH1A1HRH4SMN1; SMN2KMT2AMEN1
SCHEMBL11552038 0.80 ALDH1A1 (0.45) ALDH1A1TP53SMN1; SMN2KMT2ACYP1A2
SCHEMBL21325614 0.80 ALDH1A1 (0.51) ALDH1A1TP53HRH4SMN1; SMN2KMT2A
SCHEMBL19295121 0.78 SMN1; SMN2 (0.43) ALDH1A1TP53SMN1; SMN2KMT2ACYP1A2
Hydrochloric Acid SCHEMBL31046022 0.78 HRH1 (0.54) ALDH1A1TP53HRH4SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL31046080 0.78 ALDH1A1 (0.50) ALDH1A1TP53HRH4SMN1; SMN2KMT2A

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 8 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
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 1243/4885TP53 1/4885HRH4 1543/4885

“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.

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