SCHEMBL1667480

SCHEMBL1667480

COc1ccc(-c2ccnc(Nc3cccc(NC(=O)O)c3)n2)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.54
▸ BCR P11274 8/20 0.54
▸ PRKCA P17252 5/20 0.54
▸ PDGFRB P09619 5/20 0.54
▸ PDGFRA P16234 5/20 0.54
▸ EGFR P00533 1/20 0.54
▸ JAK2 O60674 3/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ PIK3CG P48736 5/20 0.49
▸ PIK3CA P42336 3/20 0.49
▸ PIK3CB P42338 3/20 0.49
▸ SRC P12931 3/20 0.48
▸ PRKCD Q05655 2/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ PRKCB P05771 1/20 0.48
▸ PRKCH P24723 1/20 0.48
▸ PRKCI P41743 1/20 0.48
▸ PRKCE Q02156 1/20 0.48
▸ PRKCQ Q04759 1/20 0.48

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
SCHEMBL12274532 0.93 JAK2 (0.58) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL1667130 0.91 MEN1 (0.53) ABL1BCRPRKCAJAK2PIK3CG
SCHEMBL12274769 0.90 MEN1 (0.49) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL12522328 0.88 AAK1 (0.57) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL12274689 0.87 MEN1 (0.56) ABL1PRKCAEGFRJAK2FLT3
SCHEMBL12274596 0.87 ABL1 (0.49) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL12274595 0.85 GSK3B (0.48) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL12274908 0.85 ABL1 (0.48) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL12274601 0.85 PRKCA (0.49) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL12274536 0.84 CDK5 (0.67) ABL1BCREGFRJAK2FLT3

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 4 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
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 ABL1 2170/4885BCR 3807/4885PRKCA 49/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB ABL1 538/4885BCR 2523/4885PRKCA 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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