SCHEMBL2386501

SCHEMBL2386501

NC(=O)CCCN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
RAD52 P43351 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CACNA1G O43497 3/20 0.52
CASP6 P55212 1/20 0.51
HTR7 P34969 4/20 0.51
HTR1A P08908 6/20 0.50
DRD2 P14416 5/20 0.50
DRD4 P21917 4/20 0.50
HTR2A P28223 4/20 0.50
HTR2C P28335 3/20 0.50
DRD3 P35462 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HRH1 P35367 2/20 0.50
ADRA2C P18825 1/20 0.50
KMT2A Q03164 1/20 0.50
PTK2B Q14289 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
SCHEMBL7126140 0.89 GFER (0.53) GFERKDM4EMAPTGAARAD52
Ammonia Solution, Strong SCHEMBL7120916 0.88 GFER (0.51) GFERKDM4EMAPTGAARAD52
SCHEMBL3197065 0.88 CACNA1G (0.52) MAPTGAACACNA1GHTR7HTR1A
SCHEMBL3200010 0.86 CACNA1G (0.69) KDM4EGAACACNA1GHTR7HTR1A
SCHEMBL3197900 0.86 HTR1A (0.66) MAPTGAACACNA1GHTR7HTR1A
SCHEMBL3207003 0.86 HTR1A (0.67) CACNA1GHTR7HTR1ADRD2HTR2A
SCHEMBL7120917 0.85 GFER (0.49) GFERKDM4EMAPTGAARAD52
SCHEMBL2876290 0.84 GFER (0.51) GFERKDM4EMAPTGAARAD52
SCHEMBL3194779 0.84 HTR7 (0.55) CACNA1GHTR7HTR1ADRD2HTR2A
SCHEMBL15650606 0.83 GFER (0.56) GFERKDM4EMAPTGAARAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 EP 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 GFER 3359/4885KDM4E 420/4885MAPT 4703/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 GFER 3764/4885KDM4E 83/4885MAPT 4551/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 GFER 3359/4885KDM4E 420/4885MAPT 4703/4885

“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.