SCHEMBL2456028

SCHEMBL2456028

Cc1ccc(CNc2nc(N)nc(N)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
APP P05067 2/20 0.58
TPH1 P17752 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
BRD4 O60885 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GPR68 Q15743 1/20 0.47

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
SCHEMBL15671740 0.85 CA1 (0.56) CA1CA2CA9APPTPH1
SCHEMBL14869710 0.81 CA1 (0.60) CA1CA2CA9APPHRH4
SCHEMBL6838173 0.81 CA9 (0.60) CA1CA2CA9HRH4NPSR1
SCHEMBL29223873 0.81 CA1 (0.60) CA1CA2CA9APPHRH4
SCHEMBL3301514 0.80 NPSR1 (0.74) CA1CA2CA9APPTPH1
Hydrochloric Acid SCHEMBL9247173 0.78 NPSR1 (0.72) CA1CA2CA9APPNPSR1
SCHEMBL29167130 0.78 CA1 (0.57) CA1CA2CA9APPNPSR1
SCHEMBL12963745 0.77 CA12 (0.58) CA1CA2CA9APPNPC1
SCHEMBL14869439 0.77 GAA (0.71) APPNPSR1SMN1; SMN2GPR68
SCHEMBL6727019 0.76 NPSR1 (0.74) CA1CA2CA9APPNPSR1

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
CN-1697831-A Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS INC (US) 2005-11-16 CN 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 CA1 3191/4885CA2 1978/4885CA9 1240/4885

“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.