SCHEMBL5262136

SCHEMBL5262136

O=C(O)c1ccc(Nc2ncc(Br)c(Nc3ccccn3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.78
CHEK1 O14757 1/20 0.64
NTRK2 Q16620 1/20 0.64
AURKA O14965 9/20 0.58
IGF1R P08069 3/20 0.58
MAPK8 P45983 1/20 0.58
PTK2 Q05397 1/20 0.57
GSK3A P49840 4/20 0.57
AURKB Q96GD4 1/20 0.54
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL5262378 0.88 GSK3B (1.00) GSK3BCHEK1NTRK2AURKAIGF1R
SCHEMBL5262926 0.81 GSK3B (0.81) GSK3BCHEK1NTRK2AURKAIGF1R
SCHEMBL4872174 0.79 HCAR3 (0.63) AURKAAURKB
SCHEMBL5259759 0.79 BRAF (0.55) GSK3BAURKAIGF1RMAPK8PTK2
SCHEMBL5262376 0.78 CHEK1 (1.00) GSK3BCHEK1NTRK2AURKAIGF1R
SCHEMBL11976937 0.78 ALK (0.63) IGF1R
SCHEMBL5260463 0.77 GSK3B (0.79) GSK3BCHEK1NTRK2AURKAIGF1R
SCHEMBL24752371 0.77 GSK3B (0.70) GSK3BCHEK1NTRK2AURKAMAPK8
SCHEMBL30184376 0.77 GSK3B (0.70) GSK3BCHEK1NTRK2AURKAMAPK8
SCHEMBL5259487 0.77 NPC1 (0.51) IGF1R

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 GSK3B 455/4885CHEK1 62/4885NTRK2 2841/4885

“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.