SCHEMBL3276895

SCHEMBL3276895

Brc1cnc(Nc2ccc(I)cc2)nc1Nc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.82
GSK3B P49841 3/20 0.69
CDK2 P24941 5/20 0.64
CDK1 P06493 5/20 0.64
KDR P35968 2/20 0.64
CDK19 Q9BWU1 1/20 0.62
ALK Q9UM73 1/20 0.62
MAPK8 P45983 2/20 0.59
SYK P43405 2/20 0.58
CCNB1 P14635 1/20 0.58
CCNE1 P24864 1/20 0.58
NTRK2 Q16620 2/20 0.55
PLK4 O00444 1/20 0.55
AURKA O14965 1/20 0.55
PDPK1 O15530 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
NTRK1 P04629 1/20 0.55
INSR P06213 1/20 0.55

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
SCHEMBL4459525 0.91 IGF1R (1.00) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL5261726 0.87 IGF1R (0.85) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL3270075 0.85 IGF1R (0.82) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL5262378 0.82 GSK3B (1.00) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL3270958 0.82 IGF1R (0.76) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL2936141 0.82 IGF1R (0.76) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL11339596 0.82 IGF1R (1.00) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL5258869 0.81 CDK1 (0.77) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL3270189 0.80 IGF1R (0.72) IGF1RGSK3BCDK2CDK1KDR
SCHEMBL5260078 0.80 IGF1R (0.72) IGF1RGSK3BCDK2CDK1KDR

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 9 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
CN-1220684-C 2,4,Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2005-09-28 CN 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
CN-1416423-A 2,4,Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-05-07 CN disclosed
EP-1278735-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001064656-A1 2,4,DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO 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 967/4885GSK3B 572/4885CDK2 1/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI IGF1R 1072/4885GSK3B 568/4885CDK2 1/4885

“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.