SCHEMBL4900838

SCHEMBL4900838

Cc1nc(-c2cncc(OCc3ccccc3)c2)c2c(N)c(C(N)=S)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.43
IKBKB O14920 5/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM4 P08173 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIMK1 P53667 1/20 0.35
FYN P06241 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35

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
SCHEMBL4898970 0.89 IKBKB (0.52) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4909271 0.87 BRAF (0.47) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4907129 0.84 BRAF (0.56) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4900820 0.80 LHCGR (0.51) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4907688 0.80 BRAF (0.41) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4908611 0.77 BRAF (0.53) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL14281432 0.76 BRAF (0.77) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL4908318 0.76 BRAF (0.57) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL14281657 0.75 BRAF (0.68) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL14467262 0.75 BRAF (0.67) BRAFIKBKBPDE4APDE4BPDE4C

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 BRAF 3/4885IKBKB 361/4885PDE4A 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.