SCHEMBL4924409

SCHEMBL4924409

CNc1nc(-c2ccccc2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.70
PDE4A P27815 12/20 0.70
PDE4B Q07343 12/20 0.70
PDE4C Q08493 12/20 0.70
PDE4D Q08499 12/20 0.70
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
LIMK1 P53667 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
IKBKB O14920 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL4899466 0.92 BRAF (0.70) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL27490181 0.91 MAPT (0.61) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281542 0.90 MEN1 (0.58) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4931747 0.89 BRAF (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281346 0.88 BRAF (0.78) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4918120 0.86 BRAF (0.75) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906962 0.86 BRAF (0.68) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4932831 0.85 BRAF (0.82) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6110243 0.85 IKBKB (0.64) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14466584 0.84 BRAF (0.66) 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 4 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
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-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.