SCHEMBL1177645

SCHEMBL1177645

N#Cc1c(SCc2csc(-c3ccc(Cl)cc3)n2)nc2c(c1-c1ccc(OC[C@H](O)CO)cc1)C(=O)CCC2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.59
SLC6A3 Q01959 1/20 0.59
RET P07949 1/20 0.42

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
SCHEMBL1177644 1.00 ADORA1 (0.59) ADORA1SLC6A3RET
SCHEMBL1177034 0.90 ADORA1 (0.72) ADORA1SLC6A3RET
SCHEMBL1177172 0.86 ADORA1 (0.59) ADORA1SLC6A3RET
SCHEMBL1177173 0.86 ADORA1 (0.59) ADORA1SLC6A3RET
SCHEMBL8011126 0.84 ADORA1 (0.56) ADORA1SLC6A3RET
SCHEMBL1930760 0.83 ADORA1 (0.65) ADORA1SLC6A3
SCHEMBL1930758 0.83 ADORA1 (0.65) ADORA1SLC6A3
SCHEMBL12536118 0.79 ADORA1 (0.58) ADORA1SLC6A3
SCHEMBL12869964 0.77 ADORA1 (0.71) ADORA1SLC6A3RET
SCHEMBL8019184 0.76 ADORA1 (0.56) ADORA1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618119-B2 Fused cyanopyridines and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-31 US disclosed
US-20110046162-A1 FUSED CYANOPYRIDINES AND THE USE THEREOF Bayer Schering Pharma (DE) 2011-02-24 US 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-20110046162-A1 FUSED CYANOPYRIDINES AND THE USE THEREOF TNNI3, QDPR, RYR2 ADORA1 2751/4885SLC6A3 2984/4885RET 4094/4885

“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.