SCHEMBL1667282

SCHEMBL1667282

COc1cc(N)cc(Nc2nccc(-c3ccc(OC)c(C#N)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CDK5R1 Q15078 1/20 0.52
PIK3CG P48736 5/20 0.49
PIK3CA P42336 4/20 0.49
PIK3CB P42338 4/20 0.49
IKBKE Q14164 7/20 0.49
TBK1 Q9UHD2 7/20 0.49
IKBKB O14920 2/20 0.48
JAK2 O60674 1/20 0.47
EGFR P00533 1/20 0.47
CDK2 P24941 1/20 0.47
PTK2B Q14289 1/20 0.47
SRC P12931 1/20 0.46
ZAP70 P43403 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL1667153 0.88 MEN1 (0.56) CDK5MEN1KMT2ANPC1RAB9A
SCHEMBL12274536 0.87 CDK5 (0.67) CDK5MEN1KMT2ANPC1RAB9A
SCHEMBL12801646 0.86 CDK5 (0.59) CDK5MEN1KMT2ANPC1RAB9A
SCHEMBL1667745 0.85 PIK3CG (0.52) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274094 0.85 ALDH1A1 (0.51) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274769 0.85 MEN1 (0.49) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL1667266 0.84 EGFR (0.67) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274588 0.84 MEN1 (0.53) CDK5MEN1KMT2ANPC1RAB9A
SCHEMBL12275199 0.84 IKBKE (0.53) IKBKETBK1
SCHEMBL12276011 0.83 MEN1 (0.56) MEN1KMT2APIK3CGPIK3CAPIK3CB

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 CDK5 306/4885MEN1 4367/4885KMT2A 3692/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB CDK5 229/4885MEN1 4336/4885KMT2A 1946/4885

“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.