SCHEMBL12522367

SCHEMBL12522367

COc1cc(NC(=O)CN(C)C)cc(Nc2nccc(-c3ccc(OC)c(C#N)c3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AAK1 Q2M2I8 1/20 0.44
IKBKE Q14164 6/20 0.43
TBK1 Q9UHD2 6/20 0.43
MAP3K14 Q99558 1/20 0.43
JAK3 P52333 2/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK2 O60674 3/20 0.42
FLT3 P36888 1/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CG P48736 4/20 0.42
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
PIK3CB P42338 3/20 0.42
EGFR P00533 2/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 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
SCHEMBL12275161 0.90 MEN1 (0.46) MEN1KMT2AAAK1IKBKETBK1
SCHEMBL12274094 0.88 ALDH1A1 (0.51) MEN1KMT2AAAK1IKBKETBK1
SCHEMBL12274769 0.88 MEN1 (0.49) MEN1KMT2AAAK1IKBKETBK1
SCHEMBL12801703 0.87 IKBKB (0.46) MEN1KMT2AJAK2FLT3PIK3CA
SCHEMBL12522372 0.87 CDC7 (0.44) MEN1KMT2AAAK1IKBKETBK1
SCHEMBL12274940 0.87 MEN1 (0.44) MEN1KMT2AAAK1IKBKETBK1
SCHEMBL12274139 0.86 IKBKE (0.48) MEN1KMT2AAAK1IKBKETBK1
SCHEMBL12274601 0.85 PRKCA (0.49) MEN1KMT2AJAK3JAK2PIK3CA
SCHEMBL17310461 0.85 ABL1 (0.49) MEN1KMT2AAAK1IKBKETBK1
SCHEMBL12275388 0.84 IKBKE (0.45) MEN1KMT2AAAK1IKBKETBK1

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-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

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 3692/4885AAK1 646/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MEN1 4336/4885KMT2A 1946/4885AAK1 262/4885

“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.