SCHEMBL2064658

SCHEMBL2064658

[CH2]CNCc1ccc(OC)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL8485615 0.81 GAA (0.72) GAAALDH1A1CYP3A4POLBKDM4E
Hydrochloric Acid SCHEMBL7564068 0.79 GAA (0.70) GAAALDH1A1CYP3A4POLBMEN1
SCHEMBL19189935 0.79 GAA (0.59) GAAALDH1A1CYP3A4POLBKDM4E
SCHEMBL6865547 0.76 GAA (1.00) GAAALDH1A1CYP3A4KDM4EMEN1
SCHEMBL31090146 0.76 GAA (0.77) GAAALDH1A1CYP3A4POLBKDM4E
SCHEMBL5471820 0.76 GAA (0.51) GAAALDH1A1CYP3A4POLBKDM4E
Hydrochloric Acid SCHEMBL11439664 0.75 GAA (0.59) GAAALDH1A1CYP3A4POLBKDM4E
SCHEMBL357294 0.74 GAA (0.74) GAAALDH1A1CYP3A4KDM4EMEN1
SCHEMBL1725006 0.74 GAA (0.74) GAAALDH1A1CYP3A4KDM4EMEN1
SCHEMBL29712870 0.74 GAA (0.74) GAAALDH1A1CYP3A4KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824856-B1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US 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 4820/4885ALDH1A1 1741/4885CYP3A4 64/4885

“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.