SCHEMBL5260063

SCHEMBL5260063

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 10/20 0.63
PDPK1 O15530 3/20 0.54
AURKA O14965 3/20 0.52
CCNT1 O60563 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CDK9 P50750 1/20 0.52
GSK3B P49841 1/20 0.52
CDC7 O00311 1/20 0.49
CDK19 Q9BWU1 1/20 0.49
SYK P43405 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
NTRK1 P04629 1/20 0.46
IGF1R P08069 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
SCHEMBL5260652 0.84 TBK1 (0.61) TBK1PDPK1AURKACCNT1CCNE1
SCHEMBL5261586 0.83 IGF1R (0.48) TBK1AURKACCNT1CDK2CDK9
SCHEMBL5259398 0.81 GSK3B (0.49) TBK1AURKACCNT1CCNE1CDK2
Trifluoroacetic Acid SCHEMBL6674348 0.77 GSK3B (0.71) TBK1PDPK1AURKAGSK3BSYK
SCHEMBL3270788 0.77 IGF1R (0.65) PDPK1AURKACCNT1CCNE1CDK2
SCHEMBL28646836 0.75 HDAC1 (0.65) TBK1AURKA
SCHEMBL6674350 0.75 GSK3B (0.55) TBK1PDPK1AURKAGSK3BCDK19
SCHEMBL5259156 0.75 GSK3B (0.60) CCNE1CDK2GSK3BCDK19SYK
SCHEMBL5261848 0.74 IGF1R (0.74) AURKACCNT1CCNE1CDK2CDK9
SCHEMBL3383659 0.71 TBK1 (0.65) TBK1PDPK1CDK2GSK3BCDK19

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 299/4885AURKA 210/4885

“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.