SCHEMBL5259759

SCHEMBL5259759

O=C(NCCN1CCCC1)c1ccc(Nc2ncc(Br)c(Nc3ccccn3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.55
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
IKBKG Q9Y6K9 1/20 0.53
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
FLT3 P36888 2/20 0.49
KIT P10721 1/20 0.49
GSK3B P49841 1/20 0.49
IGF1R P08069 5/20 0.49
JAK2 O60674 1/20 0.48
BRD4 O60885 1/20 0.48
RET P07949 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PDGFRB P09619 1/20 0.46

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
SCHEMBL5259735 0.88 BRAF (0.51) BRAFIKBKBCHUKIKBKGAURKA
SCHEMBL5260385 0.84 BRAF (0.51) BRAFIKBKBCHUKIKBKGAURKA
SCHEMBL5260652 0.83 TBK1 (0.61) BRAFIKBKBCHUKIKBKGAURKA
SCHEMBL5259487 0.82 NPC1 (0.51) IGF1R
SCHEMBL5262136 0.79 GSK3B (0.78) AURKAAURKBGSK3BIGF1RMAPK8
SCHEMBL6952862 0.79 IGF1R (0.50) GSK3BIGF1RHDAC1HDAC6PTK2
SCHEMBL2497661 0.75 BRAF (0.60) BRAFIKBKBCHUKIKBKGFLT3
SCHEMBL11976937 0.73 ALK (0.63) IGF1R
SCHEMBL5257530 0.73 NAMPT (0.59) GSK3BIGF1R
SCHEMBL5261586 0.73 IGF1R (0.48) AURKAAURKBGSK3BIGF1RHDAC1

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 BRAF 83/4885IKBKB 628/4885CHUK 164/4885

“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.