SCHEMBL5260652

SCHEMBL5260652

O=C(NCCN1CCCC1)c1ccc(Nc2ncc(Br)c(Nc3cccc(F)c3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 10/20 0.61
PDPK1 O15530 3/20 0.53
BRAF P15056 1/20 0.53
AURKA O14965 1/20 0.51
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A1 P68400 2/20 0.50
CSNK2A3 Q8NEV1 2/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
GSK3B P49841 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
IKBKG Q9Y6K9 1/20 0.50
JAK2 O60674 1/20 0.49
BRD4 O60885 1/20 0.49
RET P07949 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL5260063 0.84 TBK1 (0.63) TBK1PDPK1AURKAGSK3BCCNT1
SCHEMBL5259735 0.83 BRAF (0.51) BRAFAURKAPDGFRBPDGFRAGSK3B
SCHEMBL5259759 0.83 BRAF (0.55) BRAFAURKAPDGFRBPDGFRAGSK3B
SCHEMBL5260385 0.81 BRAF (0.51) BRAFAURKAPDGFRBPDGFRAGSK3B
SCHEMBL5257635 0.76 CYP2C19 (0.53) TBK1
Trifluoroacetic Acid SCHEMBL6674348 0.76 GSK3B (0.71) TBK1PDPK1AURKAGSK3B
SCHEMBL2497661 0.75 BRAF (0.60) BRAFIKBKBCHUKIKBKGFLT3
SCHEMBL6674350 0.73 GSK3B (0.55) TBK1PDPK1AURKAGSK3B
SCHEMBL13898246 0.73 TBK1 (0.72) TBK1PDPK1AURKACSNK2A2TYK2
SCHEMBL29818179 0.72 ATR (0.59) BRAFCSNK2A2CSNK2BCSNK2A1CSNK2A3

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
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP claimed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US claimed
JP-2003525278-A 2003-08-26 JP claimed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US claimed
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP claimed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 TBK1 1920/4885PDPK1 299/4885BRAF 83/4885

“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.