SCHEMBL7653122

SCHEMBL7653122

N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCOC(=O)[C@@H](N)CO)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 20/20 0.79
SLC6A3 Q01959 1/20 0.79

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
SCHEMBL7648269 0.94 ADORA1 (0.76) ADORA1SLC6A3
SCHEMBL7649213 0.93 ADORA1 (0.75) ADORA1SLC6A3
SCHEMBL15701085 0.93 ADORA1 (0.74) ADORA1SLC6A3
SCHEMBL7604784 0.92 ADORA1 (0.67) ADORA1SLC6A3
SCHEMBL7651364 0.92 ADORA1 (0.73) ADORA1SLC6A3
SCHEMBL7669794 0.92 ADORA1 (0.73) ADORA1SLC6A3
SCHEMBL7649153 0.92 ADORA1 (0.73) ADORA1SLC6A3
SCHEMBL13937445 0.92 ADORA1 (0.77) ADORA1SLC6A3
SCHEMBL13938560 0.92 ADORA1 (0.77) ADORA1SLC6A3
SCHEMBL7649268 0.92 ADORA1 (0.72) 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-20120122820-A1 PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2012-05-17 US disclosed
WO-2009015812-A2 PRODRUGS OF 2-AMINO-6- ( { [2- (4-CHLORPHENYL) -1, 3-THIAZ0L-4-YL] METHYL}THIO) -4- [4- ( 2 -HYDROXYETHOXY) PHENYL] PYRIDIN-3, 5-DICARBONITRILE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 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-20120122820-A1 PRODRUGS AND THE USE THEREOF TPMT, DPP4, PYGL ADORA1 1087/4885SLC6A3 825/4885

“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.