SCHEMBL4904073

SCHEMBL4904073

NC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(N)nc2s1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.62
PDE4A P27815 9/20 0.62
PDE4B Q07343 9/20 0.62
PDE4C Q08493 9/20 0.62
PDE4D Q08499 9/20 0.62
HSP90AB1 P08238 6/20 0.57
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
RIPK2 O43353 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
SCHEMBL14281568 0.89 HSP90AB1 (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4911693 0.86 HSP90AB1 (0.62) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907993 0.83 BRAF (0.65) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908426 0.83 HSP90AB1 (0.61) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907235 0.83 HSP90AB1 (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907703 0.83 HSP90AB1 (0.59) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL3321292 0.82 HSP90AB1 (0.68) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4911642 0.80 HSP90AB1 (0.57) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14466579 0.80 BRAF (0.66) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4924193 0.77 BRAF (1.00) 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.