SCHEMBL2064577

SCHEMBL2064577

[CH2]CCOc1cc(N)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
KDM4E B2RXH2 5/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.46
USP2 O75604 2/20 0.46
CYP19A1 P11511 2/20 0.46
ATM Q13315 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A1 P22736 1/20 0.45
LMNA P02545 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL15327711 0.85 GAA (0.58) GAAKDM4EMAPTHTTTSHR
SCHEMBL22502189 0.84 MAPT (0.66) GAAKDM4EMAPTHTTTSHR
SCHEMBL5649965 0.84 KDM4E (0.56) GAAKDM4EMAPTHTTTSHR
SCHEMBL5704645 0.82 GAA (0.59) GAAKDM4EMAPTHTTTSHR
SCHEMBL4025990 0.82 TUBB1 (0.55) GAAKDM4EMAPTHTTTSHR
SCHEMBL986332 0.82 MAPT (0.54) GAAKDM4EMAPTHTTTSHR
SCHEMBL8250672 0.82 MAPT (0.54) GAAKDM4EMAPTHTTTSHR
SCHEMBL5106305 0.82 MAPT (0.54) GAAKDM4EMAPTHTTTSHR
SCHEMBL22502366 0.81 GAA (0.57) GAAKDM4EMAPTHTTTSHR
SCHEMBL6608879 0.80 CA12 (0.61) MAPTHTTALDH1A1MEN1KMT2A

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-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
CN-101072779-B 2,4(4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA NV 2010-12-22 CN disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
CN-101072779-A 2,4(4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2007-11-14 CN disclosed
EP-1824856-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 EP disclosed
WO-2006061415-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 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-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 GAA 4820/4885KDM4E 3986/4885MAPT 4717/4885

“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.