SCHEMBL12274689

SCHEMBL12274689

COc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ PIK3CG P48736 5/20 0.52
▸ PIK3CA P42336 4/20 0.52
▸ PIK3CB P42338 4/20 0.52
▸ JAK2 O60674 3/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ IKBKE Q14164 3/20 0.51
▸ TBK1 Q9UHD2 3/20 0.51
▸ EGFR P00533 2/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ IKBKB O14920 3/20 0.49
▸ CDK5 Q00535 2/20 0.49
▸ PRKCA P17252 2/20 0.49
▸ PRKCD Q05655 2/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKCB P05771 1/20 0.49
▸ LCK P06239 1/20 0.49

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 0.89 MEN1 (0.56) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12276011 0.89 MEN1 (0.56) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274914 0.88 CAMK2D (0.57) PIK3CGPIK3CAPIK3CBJAK2FLT3
SCHEMBL12274536 0.88 CDK5 (0.67) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL1667266 0.88 EGFR (0.67) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL1667130 0.87 MEN1 (0.53) MEN1KMT2APIK3CGJAK2IKBKE
SCHEMBL1667480 0.87 ABL1 (0.54) PIK3CGPIK3CAPIK3CBJAK2FLT3
SCHEMBL13279540 0.87 MEN1 (0.51) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274815 0.86 PIK3CA (0.53) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274038 0.86 MEN1 (0.53) 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 5 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
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 3692/4885PIK3CG 207/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MEN1 4336/4885KMT2A 1946/4885PIK3CG 76/4885

“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.

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