SCHEMBL5260463

SCHEMBL5260463

O=C(O)c1cccc(Nc2ncc(Br)c(Nc3ccccc3)n2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.79
IGF1R P08069 4/20 0.70
MAPK8 P45983 2/20 0.65
SYK P43405 1/20 0.64
RHOA P61586 1/20 0.64
CHEK1 O14757 1/20 0.61
NTRK2 Q16620 1/20 0.61
CDK19 Q9BWU1 2/20 0.61
ALK Q9UM73 2/20 0.61
AURKA O14965 2/20 0.59
GSK3A P49840 2/20 0.57
CDK1 P06493 1/20 0.57
CDK2 P24941 1/20 0.57
KDR P35968 1/20 0.57
EGFR P00533 1/20 0.56
BTK Q06187 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54

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) GSK3BIGF1RMAPK8SYKCHEK1
SCHEMBL6701811 0.87 GSK3B (0.64) GSK3BIGF1RMAPK8SYKRHOA
SCHEMBL12518611 0.85 EGFR (0.76) GSK3BSYKRHOAAURKAGSK3A
SCHEMBL4459525 0.84 IGF1R (1.00) GSK3BIGF1RMAPK8SYKCHEK1
SCHEMBL3275303 0.83 SYK (0.92) GSK3BIGF1RMAPK8SYKCDK19
SCHEMBL656685 0.82 AURKA (0.79) GSK3BIGF1RMAPK8SYKNTRK2
Trifluoroacetic Acid SCHEMBL6674348 0.81 GSK3B (0.71) GSK3BIGF1RMAPK8SYKCHEK1
SCHEMBL13648626 0.81 GSK3B (0.53) GSK3BIGF1RMAPK8SYKRHOA
SCHEMBL655512 0.80 IGF1R (0.75) GSK3BIGF1RMAPK8SYKCDK19
Hydrochloric Acid SCHEMBL6676130 0.79 GSK3B (0.72) GSK3BIGF1RMAPK8SYKCHEK1

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 455/4885IGF1R 789/4885MAPK8 666/4885

“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.