SCHEMBL5619989

SCHEMBL5619989

COc1cc(Nc2nc(-c3ccc(NC=O)cc3)nn3c(C)nc(C)c23)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.41
CDK2 P24941 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
BRAF P15056 3/20 0.38
GAA P10253 1/20 0.37
BRD4 O60885 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
FLT3 P36888 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT7 Q9NVM4 1/20 0.35
GSK3B P49841 1/20 0.35
EGFR P00533 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL6291417 0.88 PLK1 (0.45) PLK1CDK2PLK3GAABRD4
SCHEMBL5619503 0.87 PLK1 (0.46) PLK1CDK2PLK3BRAFGAA
SCHEMBL6291820 0.87 TP53 (0.45) PLK1CDK2PLK3GAALMNA
SCHEMBL5619875 0.86 EGFR (0.45) PLK1CDK2PLK3GAABRD4
SCHEMBL6287805 0.86 PLK1 (0.45) PLK1CDK2PLK3GAAMAPT
SCHEMBL5619813 0.86 BRAF (0.50) PLK1BRAFMAPTLMNAMEN1
SCHEMBL8362592 0.85 BRAF (0.47) PLK1CDK2PLK3BRAFGAA
SCHEMBL5619992 0.85 RAF1 (0.52) PLK1CDK2PLK3BRAFGAA
SCHEMBL5620937 0.84 MAPT (0.43) PLK1BRAFMAPTLMNAMEN1
SCHEMBL5620759 0.84 ABCG2 (0.48) PLK1MEN1KMT2ATUBB4ATUBB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-20060166993-A1 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2006-07-27 US disclosed
EP-1599479-A1 SUBSTITUTED IMIDAZOTRIAZINES Bayer HealthCare AG (DE) 2005-11-30 EP disclosed
WO-2004005290-A1 SUBSTITUTED IMIDAZOTRIAZINES BAYER HEALTHCARE AG (DE) 2004-01-15 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-20060166993-A1 Substituted imidazotriazines SNCA, PARK7, TPMT PLK1 3245/4885CDK2 449/4885PLK3 3114/4885

“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.