SCHEMBL6441069

SCHEMBL6441069

COc1cccc(-c2nc(N)nc(SC)c2C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 1.00
MAPT P10636 2/20 1.00
ADORA1 P30542 11/20 0.73
ADORA2A P29274 10/20 0.73
ADORA2B P29275 3/20 0.73
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.48
PIK3CG P48736 1/20 0.48

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
SCHEMBL6441875 0.85 ADORA1 (0.76) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL6440532 0.84 RXFP1 (0.72) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL4908319 0.82 MAPT (0.70) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL6440876 0.82 MAPT (0.70) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL4905916 0.82 ADORA1 (0.77) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL4904033 0.82 ADORA1 (0.77) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL6442594 0.82 ADORA1 (0.71) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL18893661 0.81 RXFP1 (0.67) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL6443011 0.78 ADORA1 (0.67) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL15286448 0.76 ADORA1 (0.67) RXFP1MAPTADORA1ADORA2AADORA2B

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 RXFP1 390/4885MAPT 1878/4885ADORA1 3/4885

“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.