SCHEMBL4907703

SCHEMBL4907703

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 14/20 0.59
BRAF P15056 3/20 0.49
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
HSP90AA1 P07900 3/20 0.42
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4911693 0.88 HSP90AB1 (0.62) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL4906976 0.86 BRAF (0.53) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL14281568 0.84 HSP90AB1 (0.56) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL4904073 0.83 BRAF (0.62) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL4907235 0.81 HSP90AB1 (0.56) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL4911759 0.77 HSP90AB1 (0.78) HSP90AB1HSP90AA1CYP2C19KDM4EMAPT
SCHEMBL14281356 0.75 BRAF (0.56) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL13109976 0.74 HSP90AB1 (1.00) HSP90AB1HSP90AA1CYP2C19KDM4EMAPT
SCHEMBL4907999 0.73 HSP90AB1 (0.62) HSP90AB1HSP90AA1CYP2C19
SCHEMBL4907993 0.73 BRAF (0.65) HSP90AB1BRAFPDE4APDE4BPDE4C

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 HSP90AB1 1347/4885BRAF 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.