SCHEMBL3270778

SCHEMBL3270778

CC(C)(C)OC(=O)NCC#Cc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
PTPN11 Q06124 1/20 0.53
IGF1R P08069 8/20 0.52
CDK2 P24941 5/20 0.49
CDK4 P11802 1/20 0.49
CDK1 P06493 4/20 0.49
KDR P35968 2/20 0.49
CCNB1 P14635 1/20 0.49
CCNE1 P24864 1/20 0.49
CHEK1 O14757 2/20 0.48
NTRK2 Q16620 2/20 0.48
MAPK8 P45983 2/20 0.48
ALK Q9UM73 2/20 0.45
CDK19 Q9BWU1 1/20 0.45
ITK Q08881 2/20 0.45
SYK P43405 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
DCLK1 O15075 1/20 0.43

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
SCHEMBL3271859 0.81 IGF1R (0.65) GSK3BIGF1RCDK2CDK4CDK1
SCHEMBL3270705 0.78 IGF1R (0.67) GSK3BIGF1RCDK2CDK4CDK1
SCHEMBL6068404 0.77 IGF1R (0.64) GSK3BIGF1RCDK2CDK4CDK1
SCHEMBL12519502 0.75 EGFR (0.62) CHEK1NTRK2ITKSYKJAK2
SCHEMBL21881992 0.75 PTPN11 (0.71) PTPN11SYKAKT1
SCHEMBL3269913 0.73 GSK3B (0.69) GSK3BIGF1RCDK2CDK4CDK1
SCHEMBL4114769 0.73 SYK (0.59) GSK3BIGF1RCDK2CDK4CDK1
SCHEMBL7041264 0.73 PTPN11 (0.68) PTPN11
SCHEMBL29691832 0.72 PTPN11 (0.67) PTPN11
SCHEMBL3270728 0.72 SYK (0.52) GSK3BIGF1RCDK2CDK4CDK1

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 disclosed
US-7067522-B2 2,4,DI (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2006-06-27 US disclosed
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB 2005-04-28 US disclosed
US-6838464-B2 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineaoplastic agents ASTRAZENECA AB (SE) 2005-01-04 US disclosed
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-09-25 US 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-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 GSK3B 572/4885PTPN11 1061/4885IGF1R 967/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI GSK3B 568/4885PTPN11 1165/4885IGF1R 1072/4885

“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.