SCHEMBL17409798

SCHEMBL17409798

CCc1ccc(NCC(C)(C)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
DEGS1 O15121 1/20 0.40
HCAR3 P49019 4/20 0.39
PIM1 P11309 1/20 0.39
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
IL1B P01584 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL17409817 0.81 RAB9A (0.49) KDM4EADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL14416655 0.80 HCAR3 (0.53) KDM4EL3MBTL1DEGS1HCAR3ADRA2A
SCHEMBL15986820 0.79 NUDT1 (0.42) KDM4EHCAR3PIM1ADRA2AADRA2B
SCHEMBL17403570 0.79 RAB9A (0.46) DEGS1HCAR3PIM1ADRA2AADRA2B
SCHEMBL13662059 0.78 HCAR3 (0.40) KDM4EL3MBTL1DEGS1HCAR3SMN1; SMN2
SCHEMBL12693710 0.77 HCAR3 (0.45) KDM4EL3MBTL1DEGS1HCAR3ADRA2A
SCHEMBL12327198 0.77 HCAR3 (0.56) KDM4EL3MBTL1DEGS1HCAR3ADRA2A
SCHEMBL19818812 0.75 SMN1; SMN2 (0.33) KDM4EL3MBTL1DEGS1SMN1; SMN2RAB9A
SCHEMBL14845825 0.74 HCAR3 (0.55) KDM4EL3MBTL1DEGS1HCAR3SMN1; SMN2
SCHEMBL12020150 0.74 HCAR3 (0.46) KDM4EL3MBTL1DEGS1HCAR3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 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-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS KDM4E 835/4885L3MBTL1 1035/4885DEGS1 1516/4885

“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.