SCHEMBL7649153

SCHEMBL7649153

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.73
SLC6A3 Q01959 1/20 0.73
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL7669794 1.00 ADORA1 (0.73) ADORA1SLC6A3KDM4EMEN1USP2
SCHEMBL7651662 0.98 ADORA1 (0.72) ADORA1SLC6A3KDM4EMEN1USP2
SCHEMBL7649213 0.96 ADORA1 (0.75) ADORA1SLC6A3
SCHEMBL7651354 0.94 ADORA1 (0.72) ADORA1SLC6A3KDM4EMEN1USP2
SCHEMBL7648269 0.94 ADORA1 (0.76) ADORA1SLC6A3
SCHEMBL7603710 0.93 ADORA1 (0.63) ADORA1SLC6A3
SCHEMBL7604770 0.93 ADORA1 (0.63) ADORA1SLC6A3
SCHEMBL7653122 0.92 ADORA1 (0.79) ADORA1SLC6A3
SCHEMBL7651364 0.92 ADORA1 (0.73) ADORA1SLC6A3
SCHEMBL7903266 0.91 ADORA1 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311812-A1 ADENOSINE A1 AGONISTS AS MEDICAMENTS FOR KIDNEY DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
WO-2015086561-A1 ADENOSINE A1 AGONISTS AS MEDICAMENTS AGAINST RENAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-18 WO disclosed
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 (2 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 825/4885KDM4E 987/4885
US-20160311812-A1 ADENOSINE A1 AGONISTS AS MEDICAMENTS FOR KIDNEY DISORDERS ADORA1, ADORA2A, ADORA2B ADORA1 1/4885SLC6A3 1206/4885KDM4E 4815/4885

“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.