SCHEMBL4554802

SCHEMBL4554802

CN1CCN(c2cc(N)cc(N3CCOCC3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
MAPT P10636 5/20 0.56
GAA P10253 3/20 0.56
ADRA2C P18825 2/20 0.56
PTK2B Q14289 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
GFER P55789 1/20 0.56
ESR2 Q92731 1/20 0.56
HRH4 Q9H3N8 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
LGMN Q99538 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2013498 0.89 ADRA2C (0.68) KDM4EMAPTGAAADRA2CPTK2B
SCHEMBL1172028 0.89 LGMN (0.53) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL7784808 0.85 ALDH1A1 (0.46) KDM4EMAPTGAAADRA2CPTK2B
SCHEMBL2712064 0.85 LGMN (0.53) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL22712693 0.85 ADRA2C (0.68) KDM4EMAPTGAAADRA2CPTK2B
SCHEMBL14032564 0.84 LMNA (0.57) KDM4EMAPTGAAADRA2CPTK2B
SCHEMBL5129511 0.83 LGMN (0.49) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL5131625 0.82 LMNA (0.49) KDM4EMAPTGAAADRA2CPTK2B
SCHEMBL5131921 0.81 LGMN (0.47) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL5129867 0.81 MAPT (0.52) KDM4EMAPTGAAALDH1A1KMT2A

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
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 EP disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 KDM4E 1632/4885MAPT 3593/4885GAA 4060/4885

“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.