SCHEMBL4907754

SCHEMBL4907754

CCOC(=O)c1cc2c(Cl)nc(SC)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL1753901 0.86 CSNK2A2 (0.47) TSHRLMNAKDM4ENPSR1ALDH1A1
SCHEMBL29120717 0.84 KDM4E (0.45) MAPTTSHRKDM4ENPSR1ALDH1A1
SCHEMBL28983727 0.84 KDM4E (0.43) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL1424692 0.83 HSP90AB1 (0.47) MAPTKDM4EMAPK1ALDH1A1HPGD
SCHEMBL4906890 0.83 HSP90AB1 (0.51) MAPTLMNAKDM4ENPSR1ALDH1A1
SCHEMBL4909700 0.81 TEAD2 (0.41) MAPTTSHRLMNAKDM4EALDH1A1
SCHEMBL28983736 0.81 MAPT (0.41) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL30396827 0.79 HDAC3 (0.42) MAPTTSHRKDM4ENPSR1ALDH1A1
SCHEMBL4522446 0.78 MAPT (0.47) MAPTTSHRKDM4ENPSR1MAPK1
SCHEMBL5429822 0.78 SELE (0.54) MAPTTSHRKDM4ENPSR1ALDH1A1

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
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
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 MAPT 3324/4885TSHR 1074/4885LMNA 3045/4885

“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.