SCHEMBL5425879

SCHEMBL5425879

Cn1cc(-c2nccc(Oc3ccc(N)cc3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
TNK2 Q07912 1/20 0.43
AXL P30530 2/20 0.40
AURKA O14965 3/20 0.39
AURKB Q96GD4 3/20 0.39
FYN P06241 1/20 0.39
KDR P35968 1/20 0.38
BTK Q06187 1/20 0.38
MET P08581 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
TTK P33981 1/20 0.37
CLK2 P49760 1/20 0.37
LRRK2 Q5S007 1/20 0.37
SCN9A Q15858 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL23900656 0.88 MTOR (0.42) CCNCCDK8TNK2AURKAAURKB
SCHEMBL5342901 0.85 TNK2 (0.40) TNK2AXLAURKBFYNKDR
SCHEMBL5424437 0.83 FFAR4 (0.39) CCNCCDK8TNK2AURKAAURKB
SCHEMBL5427540 0.83 FFAR4 (0.39) CCNCCDK8TNK2KDRMET
SCHEMBL24920777 0.79 ACVR2A (0.46) AURKAAURKBKDRCCNA2CDK2
SCHEMBL21426331 0.78 MTOR (0.41) KDR
SCHEMBL5335338 0.76 MET (0.36) CCNCCDK8AXLBTKMET
SCHEMBL23753887 0.76 MTOR (0.43) AXLAURKAAURKBKDRMET
SCHEMBL574068 0.75 KDR (0.52) FYNKDRMET
SCHEMBL29736768 0.75 KDR (0.52) FYNKDRMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 CCNC 128/4885CDK8 185/4885TNK2 133/4885

“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.