SCHEMBL3269913

SCHEMBL3269913

O=C(O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.69
AURKA O14965 3/20 0.69
GSK3A P49840 3/20 0.69
IGF1R P08069 6/20 0.67
CDK2 P24941 5/20 0.62
CDK4 P11802 1/20 0.62
CHEK1 O14757 2/20 0.61
NTRK2 Q16620 2/20 0.61
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
PTPN7 P35236 1/20 0.60
KMT2A Q03164 1/20 0.60
PTPN12 Q05209 1/20 0.60
MAPK8 P45983 2/20 0.59
CDK1 P06493 4/20 0.58
KDR P35968 2/20 0.58
SYK P43405 3/20 0.54
ALK Q9UM73 2/20 0.53
JAK2 O60674 2/20 0.53

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
SCHEMBL5260092 0.83 GSK3B (0.71) GSK3BAURKAGSK3AIGF1RCDK2
SCHEMBL4459525 0.82 IGF1R (1.00) GSK3BAURKAGSK3AIGF1RCDK2
SCHEMBL5262378 0.81 GSK3B (1.00) GSK3BAURKAGSK3AIGF1RCDK2
SCHEMBL7236862 0.81 GSK3B (0.68) GSK3BAURKAGSK3AIGF1RCDK2
SCHEMBL3270075 0.79 IGF1R (0.82) GSK3BAURKAIGF1RCDK2CDK4
SCHEMBL3271930 0.79 CDK2 (0.69) GSK3BAURKAGSK3AIGF1RCDK2
SCHEMBL6701811 0.79 GSK3B (0.64) GSK3BAURKAGSK3AIGF1RCDK2
SCHEMBL6642260 0.78 IGF1R (0.62) GSK3BAURKAGSK3AIGF1RCDK2
SCHEMBL5261726 0.78 IGF1R (0.85) GSK3BAURKAGSK3AIGF1RCDK2
SCHEMBL6641459 0.78 CDK2 (0.79) GSK3BAURKAGSK3AIGF1RCDK2

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
EP-1278735-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2010-06-30 EP claimed
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB 2005-04-28 US claimed
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-09-25 US claimed
EP-1278735-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001064656-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 (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-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 GSK3B 572/4885AURKA 251/4885GSK3A 701/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI GSK3B 568/4885AURKA 247/4885GSK3A 709/4885

“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.