SCHEMBL4906699

SCHEMBL4906699

COc1cc(Cl)cc(-c2nc(SC)nc(SCC(N)=O)c2C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 5/20 0.47
ADORA1 P30542 5/20 0.46
ADORA2B P29275 3/20 0.46
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA2A P29274 2/20 0.44
ELAVL1 Q15717 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL4905886 0.84 PIM1 (0.43) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL4905895 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL4911446 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL4898170 0.79 KMT2A (0.43) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL4907415 0.79 KMT2A (0.57) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL4908319 0.73 MAPT (0.70) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL4909305 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL4908410 0.72 LHCGR (0.45) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL13913746 0.70 ADORA1 (0.80) ALDH1A1KDM4EADORA1ADORA2BMAPT
SCHEMBL4911250 0.69 RXFP1 (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1

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 ALDH1A1 1662/4885KDM4E 2429/4885ADORA1 529/4885

“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.