SCHEMBL4900995

SCHEMBL4900995

COc1cncc(-c2nc(SC)[nH]c(=O)c2C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.59
PPARG P37231 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
LMNA P02545 1/20 0.57
HPGD P15428 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PRNP P04156 1/20 0.49
MAPT P10636 1/20 0.49
BRD4 O60885 2/20 0.46
CXCR2 P25025 1/20 0.46
BACE1 P56817 1/20 0.45
POLB P06746 1/20 0.45
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45

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
SCHEMBL4900836 0.88 RXFP1 (0.56) RXFP1PPARGNCOR2LMNAHPGD
SCHEMBL6215257 0.84 HPGD (0.73) RXFP1PPARGNCOR2LMNAHPGD
SCHEMBL4903909 0.82 RXFP1 (0.61) RXFP1PPARGNCOR2LMNAHPGD
SCHEMBL4907049 0.81 RXFP1 (0.59) RXFP1PPARGNCOR2LMNAHPGD
SCHEMBL4907124 0.77 HPGD (0.45) HPGDMEN1KMT2ANPSR1HTT
SCHEMBL13946838 0.76 CYP11B1 (0.42) RXFP1HPGDMEN1KMT2ANPSR1
SCHEMBL18893660 0.74 RXFP1 (0.46) RXFP1KMT2ANPSR1KDM4EMAPT
SCHEMBL4900833 0.74 KMT2A (0.56) RXFP1PPARGHPGDMEN1KMT2A
SCHEMBL16772576 0.73 RXFP1 (0.95) RXFP1PPARGNCOR2LMNAHPGD
SCHEMBL4906979 0.72 LMNA (0.75) RXFP1PPARGNCOR2LMNAHPGD

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.