SCHEMBL3276745

SCHEMBL3276745

Brc1cnc(Nc2ccc(OCC3CCNCC3)cc2)nc1Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.58
CDK2 P24941 5/20 0.54
CDK4 P11802 1/20 0.54
GSK3B P49841 2/20 0.52
ALK Q9UM73 2/20 0.50
CDK19 Q9BWU1 1/20 0.50
CDK1 P06493 4/20 0.49
KDR P35968 2/20 0.49
CHEK1 O14757 2/20 0.47
NTRK2 Q16620 2/20 0.47
PRKCQ Q04759 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
MELK Q14680 2/20 0.46
TNK2 Q07912 1/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
DCLK1 O15075 1/20 0.46
MAPK13 O15264 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
SCHEMBL6642260 0.82 IGF1R (0.62) IGF1RCDK2CDK4GSK3BALK
SCHEMBL3270728 0.78 SYK (0.52) IGF1RCDK2CDK4GSK3BALK
SCHEMBL4459525 0.76 IGF1R (1.00) IGF1RCDK2CDK4GSK3BALK
SCHEMBL3269913 0.76 GSK3B (0.69) IGF1RCDK2CDK4GSK3BALK
SCHEMBL3271930 0.74 CDK2 (0.69) IGF1RCDK2CDK4GSK3BALK
SCHEMBL3275206 0.74 IGF1R (0.60) IGF1RCDK2CDK4GSK3BALK
SCHEMBL3272094 0.73 CDK19 (0.51) IGF1RCDK2ALKCDK19PRKCQ
SCHEMBL5261726 0.73 IGF1R (0.85) IGF1RCDK2CDK4GSK3BALK
SCHEMBL30981019 0.73 AURKA (0.67) CDK2AURKAJAK2PTK2ITK
SCHEMBL3276895 0.72 IGF1R (0.82) IGF1RCDK2CDK4GSK3BALK

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 IGF1R 967/4885CDK2 1/4885CDK4 4/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI IGF1R 1072/4885CDK2 1/4885CDK4 2/4885

“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.