SCHEMBL7146733

SCHEMBL7146733

CCc1c(SC)nc(N)nc1-c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.47
ADORA1 P30542 13/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
PTPN7 P35236 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAPDH P04406 1/20 0.44
NR4A1 P22736 1/20 0.44
HTT P42858 1/20 0.44
DUSP3 P51452 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL7447741 0.86 HPGD (0.46) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL7396653 0.84 ADORA2A (0.43) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL7146794 0.83 ADORA2A (0.49) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL7146915 0.81 ADORA2A (0.51) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL7149023 0.80 ADORA2A (0.49) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL7141937 0.80 ADORA2A (0.50) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL7144404 0.80 ADORA2A (0.49) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL7151355 0.80 ADORA2A (0.46) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL7144880 0.77 ADORA2A (0.47) ADORA2AADORA1ALDH1A1ADORA2BADORA3
SCHEMBL6441106 0.77 ADORA2A (0.64) ADORA2AADORA1KDM4EMEN1ALDH1A1

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
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 ADORA2A 1/4885ADORA1 3/4885KDM4E 3250/4885

“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.