SCHEMBL5263108

SCHEMBL5263108

COc1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)ncc2F)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.79
SYK P43405 6/20 0.79
GSK3A P49840 1/20 0.76
GSK3B P49841 1/20 0.76
CHEK1 O14757 1/20 0.75
NTRK2 Q16620 1/20 0.75
JAK2 O60674 2/20 0.62
AURKB Q96GD4 2/20 0.62
EGFR P00533 2/20 0.61
PTK2 Q05397 1/20 0.59

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
SCHEMBL655911 0.90 GSK3B (0.92) AURKASYKGSK3AGSK3BNTRK2
SCHEMBL655996 0.89 SYK (1.00) AURKASYKGSK3AGSK3BNTRK2
SCHEMBL30981222 0.86 GSK3B (1.00) AURKASYKGSK3AGSK3BNTRK2
SCHEMBL5262376 0.86 CHEK1 (1.00) AURKASYKGSK3AGSK3BCHEK1
SCHEMBL655648 0.85 SYK (0.92) AURKASYKGSK3AGSK3BNTRK2
Hydrochloric Acid SCHEMBL6674805 0.85 CHEK1 (0.98) AURKASYKGSK3AGSK3BCHEK1
SCHEMBL10228970 0.84 SYK (0.89) AURKASYKGSK3AGSK3BNTRK2
SCHEMBL655910 0.84 GSK3A (0.68) AURKASYKGSK3AGSK3BJAK2
SCHEMBL2103980 0.82 AURKA (0.70) AURKASYKGSK3AGSK3BJAK2
SCHEMBL29411932 0.82 GSK3A (0.66) AURKASYKGSK3AGSK3BNTRK2

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 7 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 disclosed
CN-1211373-C 2,4-di (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US disclosed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US disclosed
CN-1406230-A 2,4-di (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-03-26 CN disclosed
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP disclosed
WO-2001064655-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 (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 AURKA 210/4885SYK 70/4885GSK3A 475/4885

“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.