SCHEMBL6442663

SCHEMBL6442663

N#Cc1c(N)nc(SCCc2ccccc2)c(C#N)c1-c1ccco1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.81
MEN1 O00255 4/20 0.81
ALDH1A1 P00352 4/20 0.81
KMT2A Q03164 4/20 0.81
MAPT P10636 4/20 0.81
USP2 O75604 2/20 0.81
ALOX15 P16050 2/20 0.81
HSD17B10 Q99714 2/20 0.81
HPGD P15428 2/20 0.81
HTT P42858 1/20 0.81
ADORA1 P30542 17/20 0.76
ADORA2A P29274 11/20 0.71
ADORA3 P0DMS8 8/20 0.71
LMNA P02545 1/20 0.71
TSHR P16473 1/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
ADORA2B P29275 2/20 0.66
NPSR1 Q6W5P4 2/20 0.61
RXFP1 Q9HBX9 2/20 0.61

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
SCHEMBL6441356 0.90 KDM4E (1.00) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL5046619 0.82 ADORA2A (0.61) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL6440902 0.81 ADORA1 (0.73) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL3095622 0.80 ADORA1 (1.00) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL6441030 0.79 KDM4E (0.75) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL5046570 0.77 ADORA1 (0.58) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL4219203 0.77 ADORA1 (0.64) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL6257108 0.75 ADORA1 (0.85) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL13914351 0.73 ADORA1 (0.70) KDM4EMEN1ALDH1A1KMT2AALOX15
SCHEMBL12503198 0.73 ADORA1 (0.67) KDM4EMEN1ALDH1A1KMT2AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 KDM4E 3250/4885MEN1 4860/4885ALDH1A1 534/4885

“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.