SCHEMBL4906905

SCHEMBL4906905

C[C@@H](O)[C@@H](C)Oc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.79
PDE4A P27815 12/20 0.66
PDE4B Q07343 12/20 0.66
PDE4C Q08493 12/20 0.66
PDE4D Q08499 12/20 0.66
EEF2K O00418 2/20 0.48
IKBKB O14920 2/20 0.45
LIMK1 P53667 2/20 0.45

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
SCHEMBL4898188 1.00 BRAF (0.79) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14306527 1.00 BRAF (0.79) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281707 0.92 BRAF (0.68) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281694 0.92 BRAF (0.68) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4904040 0.91 BRAF (0.84) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909324 0.89 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4902994 0.89 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4898463 0.83 BRAF (0.74) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281586 0.83 BRAF (0.71) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907946 0.82 BRAF (0.74) BRAFPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF BRAF 3/4885PDE4A 1/4885PDE4B 2/4885

“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.