SCHEMBL1668086

SCHEMBL1668086

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.44
▸ LCK P06239 2/20 0.44
▸ PRKCA P17252 2/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ PRKCH P24723 1/20 0.44
▸ PRKCI P41743 1/20 0.44
▸ ZAP70 P43403 1/20 0.44
▸ PRKCE Q02156 1/20 0.44
▸ PRKCQ Q04759 1/20 0.44
▸ PRKCZ Q05513 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ PRKD1 Q15139 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ABL1 P00519 3/20 0.42
▸ SRC P12931 1/20 0.42
▸ IKBKE Q14164 6/20 0.41

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
SCHEMBL12274907 0.95 EGFR (0.47) EGFRLCKPRKCAPRKD3PRKCG
SCHEMBL12274962 0.93 IKBKE (0.44) EGFRLCKPRKCAPRKD3PRKCG
SCHEMBL1667746 0.92 MEN1 (0.42) EGFRLCKPRKCAPRKD3PRKCG
SCHEMBL1667392 0.92 JAK2 (0.46) EGFRLCKPRKCAPRKD3PRKCG
SCHEMBL12275388 0.91 IKBKE (0.45) EGFRLCKPRKCAPRKD3PRKCG
SCHEMBL12522372 0.89 CDC7 (0.44) AAK1MEN1KMT2AABL1SRC
SCHEMBL12801109 0.89 EGFR (0.47) EGFRLCKPRKCAPRKD3PRKCG
SCHEMBL12274531 0.87 AAK1 (0.46) EGFRPRKCAAAK1MEN1KMT2A
SCHEMBL12274304 0.87 AAK1 (0.46) EGFRPRKCAAAK1MEN1KMT2A
SCHEMBL12274601 0.85 PRKCA (0.49) EGFRPRKCAMEN1KMT2AABL1

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 EGFR 3542/4885LCK 452/4885PRKCA 49/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB EGFR 2535/4885LCK 85/4885PRKCA 38/4885

“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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