SCHEMBL4899080

SCHEMBL4899080

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.48
ADORA1 P30542 5/20 0.48
ADORA2B P29275 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
ADORA2A P29274 2/20 0.48
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
HTR1B P28222 1/20 0.43

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 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4911229 0.86 ADORA1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4907044 0.85 ADORA1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4905617 0.83 ADORA2B (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4909656 0.83 KMO (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4908636 0.82 ADORA2B (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4911250 0.76 RXFP1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4908047 0.75 KMO (0.42) ALDH1A1KMT2AKDM4EHPGDADORA1
SCHEMBL4905882 0.74 KMT2A (0.49) ALDH1A1KMT2AMEN1HPGDADORA1
SCHEMBL13914107 0.72 ADORA1 (0.63) ALDH1A1KMT2AMEN1KDM4EHPGD

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 4 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
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO 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 1662/4885SMN1; SMN2 3598/4885KMT2A 3422/4885

“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.