SCHEMBL1669787

SCHEMBL1669787

CCOC(=O)c1cc(Nc2nccc(-c3ccc(OC)c(C#N)c3)n2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
SYK P43405 1/20 0.44
IKBKE Q14164 7/20 0.43
TBK1 Q9UHD2 7/20 0.43
AAK1 Q2M2I8 1/20 0.43
PIK3CG P48736 5/20 0.43
PIK3CA P42336 4/20 0.43
PIK3CB P42338 3/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 1/20 0.42
MAPK8 P45983 2/20 0.42
CAMKK2 Q96RR4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EGFR P00533 1/20 0.42
CDK2 P24941 1/20 0.42
PTK2B Q14289 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
SCHEMBL1667745 0.88 PIK3CG (0.52) MEN1KMT2ASYKIKBKETBK1
SCHEMBL12801326 0.88 IKBKB (0.46) MEN1KMT2ASYKPIK3CGPIK3CA
SCHEMBL12274769 0.86 MEN1 (0.49) MEN1KMT2AIKBKETBK1AAK1
SCHEMBL12274094 0.84 ALDH1A1 (0.51) MEN1KMT2AIKBKETBK1AAK1
SCHEMBL12275161 0.83 MEN1 (0.46) MEN1KMT2AIKBKETBK1AAK1
SCHEMBL17310458 0.82 SYK (0.54) MEN1KMT2ASYKIKBKETBK1
SCHEMBL12274850 0.82 ABL1 (0.53) MEN1KMT2AEGFR
SCHEMBL12275333 0.82 TBK1 (0.48) MEN1KMT2AIKBKETBK1ALDH1A1
SCHEMBL1667282 0.82 CDK5 (0.54) MEN1KMT2ASYKIKBKETBK1
SCHEMBL12522367 0.81 MEN1 (0.45) MEN1KMT2AIKBKETBK1AAK1

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-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-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
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 MEN1 4367/4885KMT2A 3692/4885HPGD 1949/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MEN1 4336/4885KMT2A 1946/4885HPGD 2881/4885

“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.