SCHEMBL2987459

SCHEMBL2987459

CCNC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.72
TSHR P16473 4/20 0.72
PKM P14618 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.62
HSD17B10 Q99714 5/20 0.59
HPGD P15428 5/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KCNH2 Q12809 1/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 1/20 0.54

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
SCHEMBL16643982 0.90 ALDH1A1 (0.60) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL18097811 0.85 ALDH1A1 (0.64) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL23466959 0.85 ALDH1A1 (0.64) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL11344627 0.84 ALDH1A1 (1.00) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL18097110 0.83 ALDH1A1 (0.68) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL14116980 0.82 ALDH1A1 (0.49) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL19993934 0.81 ALDH1A1 (0.65) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL13223386 0.80 ALDH1A1 (0.47) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL12115502 0.80 ALDH1A1 (0.72) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10
SCHEMBL7933617 0.80 ALDH1A1 (0.72) ALDH1A1TSHRPKMSMN1; SMN2HSD17B10

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428083-B2 Heterocyclylmethyl-thienouracile as antagonists of the adenosine-A2B-receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 US disclosed
US-10428083-B2 Heterocyclylmethyl-thienouracile as antagonists of the adenosine-A2B-receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 US disclosed
EP-3274352-B1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma AG (DE) 2019-01-02 EP disclosed
US-20180065981-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-08 US disclosed
US-20180065981-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-08 US disclosed
US-20180065981-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-08 US disclosed
EP-3274352-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-01-31 EP disclosed
WO-2016150901-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 WO disclosed
US-7776868-B2 Substituted bicyclic and tricyclic thieno[2,3-d]pyrimidines as A2A adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-08-17 US disclosed
US-7776868-B2 Substituted bicyclic and tricyclic thieno[2,3-d]pyrimidines as A2A adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-08-17 US disclosed
EP-1989210-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-11-12 EP disclosed
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. 2008-08-07 US disclosed
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. 2008-08-07 US disclosed
WO-2008070529-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-06-12 WO disclosed
WO-2008070529-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-06-12 WO disclosed
WO-2007103776-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-09-13 WO disclosed
WO-2007103776-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-09-13 WO disclosed
US-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction GILEAD PALO ALTO, INC. 2007-09-06 US disclosed
US-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction GILEAD PALO ALTO, INC. 2007-09-06 US disclosed
US-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction GILEAD PALO ALTO, INC. 2007-09-06 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 (4 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-20180065981-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR ADORA2A, ADORA2B, ADORA3 ALDH1A1 1142/4885TSHR 212/4885PKM 3154/4885
US-10428083-B2 Heterocyclylmethyl-thienouracile as antagonists of the adenosine-A2B-receptor ADORA2A, ADORA2B, ADORA3 ALDH1A1 1142/4885TSHR 212/4885PKM 3154/4885
US-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction CHRNE, CHRNA3, CHRNA1 ALDH1A1 419/4885TSHR 2116/4885PKM 4199/4885
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA1 ALDH1A1 925/4885TSHR 552/4885PKM 4164/4885

“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.