Sugi Predict

Sugi Predict / Compounds / SCHEMBL12274032

SCHEMBL12274032

SCHEMBL12274032

N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1NC(=O)C1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.73
▸ TBK1 Q9UHD2 5/20 0.73
▸ JAK3 P52333 9/20 0.63
▸ JAK1 P23458 6/20 0.62
▸ TYK2 P29597 4/20 0.57
▸ PDGFRB P09619 2/20 0.57
▸ FLT3 P36888 2/20 0.57
▸ PLK4 O00444 2/20 0.57
▸ CIT O14578 2/20 0.57
▸ GAK O14976 2/20 0.57
▸ ROCK2 O75116 2/20 0.57
▸ PRKD3 O94806 2/20 0.57
▸ CSNK2A2 P19784 2/20 0.57
▸ MARK3 P27448 2/20 0.57
▸ MAPK8 P45983 2/20 0.57
▸ NEK3 P51956 2/20 0.57
▸ IKBKE Q14164 2/20 0.57
▸ AAK1 Q2M2I8 2/20 0.57
▸ ULK3 Q6PHR2 2/20 0.57
▸ Q6ZSR9 Q6ZSR9 2/20 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
SCHEMBL1669713 0.98 JAK2 (0.77) JAK2TBK1JAK3JAK1TYK2
SCHEMBL12521805 0.96 JAK2 (0.72) JAK2TBK1JAK3JAK1TYK2
SCHEMBL12275181 0.96 JAK2 (0.72) JAK2TBK1JAK3JAK1TYK2
SCHEMBL12522340 0.95 JAK2 (0.71) JAK2TBK1JAK3JAK1TYK2
SCHEMBL12275525 0.89 JAK2 (0.60) JAK2TBK1JAK3JAK1TYK2
SCHEMBL1667984 0.89 JAK2 (0.62) JAK2TBK1JAK3JAK1TYK2
SCHEMBL1669922 0.89 JAK2 (0.62) JAK2TBK1JAK3JAK1TYK2
SCHEMBL12274521 0.88 JAK2 (0.72) JAK2TBK1JAK3JAK1TYK2
SCHEMBL13279503 0.88 JAK2 (0.64) JAK2TBK1JAK3JAK1TYK2
SCHEMBL12274799 0.88 JAK2 (0.61) JAK2TBK1JAK3JAK1TYK2

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 JAK2 1160/4885TBK1 1/4885JAK3 476/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK2 458/4885TBK1 1/4885JAK3 197/4885

“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.