SCHEMBL12274596

SCHEMBL12274596

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.49
▸ BCR P11274 4/20 0.49
▸ PDGFRB P09619 3/20 0.49
▸ PDGFRA P16234 3/20 0.49
▸ PRKCA P17252 3/20 0.49
▸ EGFR P00533 1/20 0.49
▸ JAK2 O60674 4/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ IKBKE Q14164 4/20 0.45
▸ TBK1 Q9UHD2 4/20 0.45
▸ PIK3CA P42336 3/20 0.44
▸ PIK3CG P48736 3/20 0.44
▸ PIK3CB P42338 2/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ PLK1 P53350 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PRKCD Q05655 1/20 0.43

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
SCHEMBL12274908 0.95 ABL1 (0.48) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL1667329 0.92 JAK3 (0.48) ABL1BCRPRKCAJAK2IKBKE
SCHEMBL12275388 0.91 IKBKE (0.45) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL1667536 0.87 JAK2 (0.47) ABL1BCRPRKCAJAK2IKBKE
SCHEMBL12522222 0.87 ABL1 (0.51) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL1667480 0.87 ABL1 (0.54) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL12274532 0.87 JAK2 (0.58) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL12274962 0.86 IKBKE (0.44) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL1667721 0.85 IKBKE (0.63) IKBKETBK1
SCHEMBL12274907 0.84 EGFR (0.47) ABL1BCRPDGFRBPDGFRAPRKCA

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 ABL1 2170/4885BCR 3807/4885PDGFRB 825/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB ABL1 538/4885BCR 2523/4885PDGFRB 852/4885

“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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