SCHEMBL4898970

SCHEMBL4898970

Cc1nc(-c2cncc(OCc3ccccc3)c2)c2c(N)c(C(N)=O)sc2n1.O=[SH2]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.52
BRAF P15056 8/20 0.52
PDE4A P27815 5/20 0.51
PDE4B Q07343 5/20 0.51
PDE4C Q08493 5/20 0.51
PDE4D Q08499 5/20 0.51
LIMK1 P53667 3/20 0.44
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41

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
SCHEMBL4900838 0.89 BRAF (0.43) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL4908318 0.87 BRAF (0.57) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL4900820 0.87 LHCGR (0.51) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL4904239 0.85 BRAF (0.68) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL4908611 0.84 BRAF (0.53) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL14281432 0.83 BRAF (0.77) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL4908199 0.83 BRAF (0.70) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL6110243 0.80 IKBKB (0.64) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL14281657 0.77 BRAF (0.68) IKBKBBRAFPDE4APDE4BPDE4C
SCHEMBL14281751 0.77 BRAF (0.59) IKBKBBRAFPDE4APDE4BPDE4C

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 1 patent. 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

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 IKBKB 361/4885BRAF 3/4885PDE4A 1/4885

“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.