SCHEMBL4900836

SCHEMBL4900836

CCOc1cncc(-c2nc(SC)[nH]c(=O)c2C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.56
PPARG P37231 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
LMNA P02545 1/20 0.54
BACE1 P56817 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PRNP P04156 1/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TP53 P04637 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HTT P42858 1/20 0.42
BRD4 O60885 2/20 0.42
ACMSD Q8TDX5 2/20 0.42

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
SCHEMBL4900995 0.88 RXFP1 (0.59) RXFP1PPARGNCOR2LMNABACE1
SCHEMBL4903909 0.86 RXFP1 (0.61) RXFP1PPARGNCOR2LMNAALDH1A1
SCHEMBL4907049 0.83 RXFP1 (0.59) RXFP1PPARGNCOR2LMNAALDH1A1
SCHEMBL4908370 0.76 KMT2A (0.53) PPARGALDH1A1HPGDMAPTMEN1
SCHEMBL6215257 0.74 HPGD (0.73) RXFP1PPARGNCOR2LMNABACE1
SCHEMBL16772576 0.70 RXFP1 (0.95) RXFP1PPARGNCOR2LMNAALDH1A1
SCHEMBL4906979 0.70 LMNA (0.75) RXFP1PPARGNCOR2LMNAALDH1A1
SCHEMBL18912284 0.67 ADORA1 (0.47) RXFP1POLBNPSR1KDM4EMEN1
SCHEMBL13946838 0.66 CYP11B1 (0.42) RXFP1ALDH1A1HPGDNPSR1KDM4E
SCHEMBL4907124 0.66 HPGD (0.45) ALDH1A1HPGDNPSR1KDM4EMEN1

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 RXFP1 257/4885PPARG 1787/4885NCOR2 2416/4885

“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.