SCHEMBL14378912

SCHEMBL14378912

CC(C)(C)CC(=O)n1nc(C(C)(C)C)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GRN P28799 5/20 0.39
SORT1 Q99523 5/20 0.39
CDK8 P49336 2/20 0.37
AURKA O14965 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
LTK P29376 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CLK2 P49760 1/20 0.35
CDK5 Q00535 1/20 0.35
ACVR1 Q04771 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAPK14 Q16539 5/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32

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
SCHEMBL20603916 0.80 GRN (0.47) KDM4EGRNSORT1CDK8AURKA
SCHEMBL4139015 0.80 KDM4E (0.44) KDM4EGRNSORT1CDK8AURKA
SCHEMBL667656 0.74 KDM4E (0.40) KDM4EGRNSORT1CDK8AURKA
SCHEMBL15046195 0.73 KDM4E (0.44) KDM4EGRNSORT1CDK8AURKA
SCHEMBL13265589 0.73 KDM4E (0.44) KDM4EGRNSORT1CDK8AURKA
Hydrochloric Acid SCHEMBL9121760 0.71 KDM4E (0.42) KDM4EGRNSORT1CDK8AURKA
Oxalic Acid SCHEMBL1013112 0.68 GRN (0.44) KDM4EGRNSORT1CDK8AURKA
SCHEMBL432964 0.65 KDM4E (0.50) KDM4EGRNSORT1MAPK14CNR2
SCHEMBL3843249 0.65 KDM4E (0.46) KDM4EGRNSORT1ALDH1A1CNR1
SCHEMBL21643577 0.65 KDM4E (0.33) KDM4EGRNSORT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF KDM4E 1353/4885GRN 4542/4885SORT1 4757/4885

“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.