SCHEMBL1669867

SCHEMBL1669867

COc1cc(N)ccc1OCCOCCNC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
FDPS P14324 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL12275269 0.95 KDM4E (0.47) KDM4EMAPTGAAALDH1A1L3MBTL1
SCHEMBL1531286 0.92 ALDH1A1 (0.54) KDM4EMAPTGAAALDH1A1L3MBTL1
SCHEMBL443057 0.87 MTNR1A (0.51) KDM4EMAPTGAAALDH1A1L3MBTL1
SCHEMBL21070212 0.85 NPC1 (0.48) KDM4EGAAALDH1A1L3MBTL1MEN1
SCHEMBL1667842 0.84 BCHE (0.44) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL1667226 0.81 ALDH1A1 (0.60) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL1667818 0.80 BCHE (0.44) KDM4EGAAALDH1A1MTNR1AMTNR1B
SCHEMBL16372588 0.79 MAPT (0.57) KDM4EMAPTGAAALDH1A1L3MBTL1
SCHEMBL12522249 0.79 MAPT (0.50) KDM4EMAPTGAAALDH1A1L3MBTL1
SCHEMBL22099991 0.79 MAPT (0.60) KDM4EMAPTGAAALDH1A1L3MBTL1

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
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 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 (2 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK KDM4E 1757/4885MAPT 1262/4885GAA 2159/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB KDM4E 1004/4885MAPT 1186/4885GAA 965/4885

“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.