SCHEMBL4911250

SCHEMBL4911250

CCOC(=O)CSc1nc(SC)nc(-c2ccc(Cl)c(Cl)c2)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.53
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 8/20 0.52
MAPT P10636 7/20 0.52
NPSR1 Q6W5P4 6/20 0.52
HPGD P15428 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PIM1 P11309 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.51
HTT P42858 3/20 0.48
THRB P10828 2/20 0.48
CHEK2 O96017 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RECQL P46063 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4905895 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL14308658 0.83 ALDH1A1 (0.51) RXFP1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL14285239 0.81 RXFP1 (0.49) RXFP1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL2132938 0.80 ALDH1A1 (0.58) RXFP1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL4899080 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4903971 0.74 KMT2A (0.53) RXFP1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL4906040 0.74 CYP1A2 (0.71) RXFP1ALDH1A1HPGDHTTTHRB
SCHEMBL4905886 0.72 PIM1 (0.43) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4911229 0.71 ADORA1 (0.48) RXFP1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL4907044 0.70 ADORA1 (0.48) ALDH1A1KDM4EMAPTHPGDL3MBTL1

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 257/4885ALDH1A1 1662/4885KDM4E 2429/4885

“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.