SCHEMBL4907044

SCHEMBL4907044

CC(C)Cc1nc(SCC(N)=O)c(C#N)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.48
ADORA2A P29274 2/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
ADORA2B P29275 3/20 0.44
ADORA3 P0DMS8 3/20 0.44
HSD17B10 Q99714 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
BRAF P15056 1/20 0.41

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
SCHEMBL4911229 0.86 ADORA1 (0.48) ADORA1ADORA2ATSHRMAPK1ALDH1A1
SCHEMBL4899080 0.85 ALDH1A1 (0.52) ADORA1ADORA2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4908636 0.83 ADORA2B (0.50) ADORA1ADORA2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4907514 0.83 KDM1A (0.50) ALDH1A1MEN1KMT2AHPGDALOX15
SCHEMBL4905895 0.83 ALDH1A1 (0.47) ADORA1ADORA2ATSHRMAPK1ALDH1A1
SCHEMBL4905617 0.79 ADORA2B (0.49) ADORA1ADORA2ATSHRMAPK1ALDH1A1
SCHEMBL4909656 0.79 KMO (0.46) ADORA1ADORA2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4909570 0.79 BRAF (0.39) ADORA1ADORA2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4911250 0.70 RXFP1 (0.53) TSHRMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13914107 0.68 ADORA1 (0.63) ADORA1ADORA2AMAPK1ALDH1A1MEN1

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 ADORA1 529/4885ADORA2A 837/4885TSHR 1074/4885

“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.