SCHEMBL4909772

SCHEMBL4909772

NCc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.57
PDE4A P27815 11/20 0.57
PDE4B Q07343 11/20 0.57
PDE4C Q08493 11/20 0.57
PDE4D Q08499 11/20 0.57
LIMK1 P53667 2/20 0.57
IKBKB O14920 1/20 0.57
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
EEF2K O00418 1/20 0.52
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4907028 0.85 BRAF (0.76) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281346 0.81 BRAF (0.78) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4911795 0.77 BRAF (0.74) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4898136 0.77 BRAF (0.82) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906813 0.77 BRAF (0.72) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906952 0.76 BRAF (0.63) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14466559 0.75 BRAF (0.71) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908991 0.75 BRAF (0.84) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907846 0.74 BRAF (0.69) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281529 0.74 BRAF (0.60) 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
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP 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.