SCHEMBL2991353

SCHEMBL2991353

CCOC(=O)c1c(C)csc1NC(=O)NCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 7/20 0.52
NPSR1 Q6W5P4 5/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL18096987 0.90 MEN1 (0.48) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL18097119 0.90 MEN1 (0.47) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL2984306 0.88 ALDH1A1 (0.52) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL2979292 0.86 MEN1 (0.54) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL2979294 0.85 LMNA (0.48) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL2989345 0.83 LMNA (0.51) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL18097642 0.83 LMNA (0.46) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL2993917 0.83 NPSR1 (0.46) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL10731479 0.83 ALDH1A1 (0.51) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL2992373 0.83 MEN1 (0.45) MEN1KMT2AATMALDH1A1NPSR1

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 15 patents. 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
EP-2121705-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2009-11-25 EP 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
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
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 MEN1 2383/4885KMT2A 1020/4885ATM 1282/4885
US-10428083-B2 Heterocyclylmethyl-thienouracile as antagonists of the adenosine-A2B-receptor ADORA2A, ADORA2B, ADORA3 MEN1 2383/4885KMT2A 1020/4885ATM 1282/4885
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 MEN1 4882/4885KMT2A 1438/4885ATM 2157/4885
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA1 MEN1 4883/4885KMT2A 1469/4885ATM 1589/4885

“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.