SCHEMBL12274599

SCHEMBL12274599

N#Cc1cc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)ccc1OC1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 19/20 0.67
▸ TBK1 Q9UHD2 19/20 0.67
▸ CDK1 P06493 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ MTOR P42345 1/20 0.57
▸ SMG1 Q96Q15 1/20 0.57

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
SCHEMBL1669653 0.91 TBK1 (0.70) IKBKETBK1
SCHEMBL1667274 0.88 TBK1 (0.73) IKBKETBK1
SCHEMBL12274310 0.86 TBK1 (0.77) IKBKETBK1
SCHEMBL12522243 0.85 TBK1 (0.69) IKBKETBK1
SCHEMBL12274502 0.85 IKBKE (0.63) IKBKETBK1
SCHEMBL1667827 0.85 IKBKE (0.70) IKBKETBK1
SCHEMBL12522267 0.84 TBK1 (0.66) IKBKETBK1
SCHEMBL13279782 0.84 IKBKE (0.77) IKBKETBK1
SCHEMBL1667605 0.84 IKBKE (0.68) IKBKETBK1
SCHEMBL1667177 0.84 IKBKE (0.62) IKBKETBK1

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 3 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

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 IKBKE 9/4885TBK1 1/4885CDK1 157/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB IKBKE 7/4885TBK1 1/4885CDK1 312/4885

“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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