SCHEMBL540957

SCHEMBL540957

Nc1nc(NCc2ncccn2)nc(Nc2ccc(F)cc2)n1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 16/20 0.86
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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 0.93 KCNH3 (1.00) KCNH3
SCHEMBL535908 0.89 KCNH3 (1.00) KCNH3
SCHEMBL1282182 0.83 KCNH3 (1.00) KCNH3MAPK1SMN1; SMN2ALDH1A1
SCHEMBL1923771 0.79 KCNH3 (0.82) KCNH3MAPK1KDM4E
SCHEMBL536016 0.78 KCNH3 (0.49) KCNH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL536394 0.77 KCNH3 (0.52) KCNH3MAPK1SMN1; SMN2
SCHEMBL1924158 0.77 KCNH3 (0.71) KCNH3
SCHEMBL28229877 0.74 SMN1; SMN2 (0.58) KCNH3SMN1; SMN2KDM4EALDH1A1BLM
SCHEMBL1923563 0.72 KCNH3 (0.97) KCNH3
SCHEMBL1923875 0.71 KCNH3 (0.71) KCNH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE FH, FAH, GOT1 KCNH3 2436/4885MAPK1 1458/4885SMN1; SMN2 2284/4885

“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.