SCHEMBL535908

SCHEMBL535908

Fc1ccc(Nc2nc(NCc3ncccn3)nc(Nc3ccccc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 20/20 1.00

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
SCHEMBL1280999 0.95 KCNH3 (1.00) KCNH3
SCHEMBL1923771 0.91 KCNH3 (0.82) KCNH3
SCHEMBL540957 0.89 KCNH3 (0.86) KCNH3
SCHEMBL1282182 0.85 KCNH3 (1.00) KCNH3
SCHEMBL1924158 0.82 KCNH3 (0.71) KCNH3
SCHEMBL1923791 0.81 KCNH3 (0.97) KCNH3
SCHEMBL1923769 0.80 KCNH3 (0.67) KCNH3
SCHEMBL1923864 0.80 KCNH3 (0.90) KCNH3
SCHEMBL1281719 0.80 KCNH3 (0.97) KCNH3
SCHEMBL5015069 0.80 KCNH3 (0.66) KCNH3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479397-B1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-06-08 EP claimed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
US-8399663-B2 Salt of 1,3,5-triazine-2,4,6-triamine derivative ASTELLAS PHARMA INC. (JP) 2013-03-19 US disclosed
US-8399663-B2 Salt of 1,3,5-triazine-2,4,6-triamine derivative ASTELLAS PHARMA INC. (JP) 2013-03-19 US disclosed
US-8399663-B2 Salt of 1,3,5-triazine-2,4,6-triamine derivative ASTELLAS PHARMA INC. (JP) 2013-03-19 US disclosed
US-8399663-B2 Salt of 1,3,5-triazine-2,4,6-triamine derivative ASTELLAS PHARMA INC. (JP) 2013-03-19 US disclosed
US-20120088772-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER ASTELLAS PHARMA INC. (JP) 2012-04-12 US disclosed
EP-2414351-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
EP-2413940-A1 COMPOSITIONS COMPRISING 2, 4, 6-TRIAMINO-1, 3, 5-TRIAZINE DERIVATIVES FOR TREATMENT OF SCHIZOPHRENIA Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
WO-2010114163-A1 COMPOSITIONS COMPRISING 2, 4, 6-TRIAMINO-1, 3, 5-TRIAZINE DERIVATIVES FOR TREATMENT OF SCHIZOPHRENIA ASTELLAS PHARMA INC. (JP) 2010-10-07 WO disclosed
WO-2010114162-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 WO disclosed
US-20100256152-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF SCHIZOPHRENIA ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
WO-2010114162-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256152-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF SCHIZOPHRENIA KCNAB1, KCNN1, SCN1A KCNH3 81/4885
US-20120088772-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER SLC6A3, ATP1A2, SLC6A1 KCNH3 105/4885
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE FH, FAH, GOT1 KCNH3 2436/4885

“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.