SCHEMBL1820474

SCHEMBL1820474

COC(=O)C1=C(NC(N)=O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.41
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 1/20 0.37
ACHE P22303 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL5656613 0.83 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL29013549 0.83 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4ACHETDP1
SCHEMBL11898141 0.83 POLB (0.48) TDP1MAPK1
SCHEMBL12573008 0.79 HCAR2 (0.41)
SCHEMBL31384688 0.79 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL14539606 0.78 ALDH1A1 (0.49) SLC6A3SLC6A2SLC6A4MAPK1
SCHEMBL5658248 0.78 ALDH1A1 (0.49) SLC6A3SLC6A2SLC6A4MAPK1
SCHEMBL8636289 0.77 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL19645298 0.76 ACHE (0.34) ACHE
SCHEMBL5656195 0.76 ATR (0.39) SLC6A3SLC6A2SLC6A4ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299437-B Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed
CN-109071567-B Anti-influenza small molecule compound and preparation method and application thereof 四川大学 2021-03-23 CN disclosed
US-8471010-B2 Synthesis of dihydrothieno[3,2-d]pyrimidine diols BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-25 US disclosed
US-8471010-B2 Synthesis of dihydrothieno[3,2-d]pyrimidine diols BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-25 US disclosed
EP-2315755-B1 SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INT (DE) 2012-08-08 EP disclosed
US-20110130563-A1 SYNTHESIS IF DIHYDROTHIENO[3,2-D]PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130563-A1 SYNTHESIS IF DIHYDROTHIENO[3,2-D]PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
EP-2315755-A2 SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS Boehringer Ingelheim International GmbH (DE) 2011-05-04 EP disclosed
WO-2009140127-A2 SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140127-A2 SYNTHESIS OF DIHYDROTHIENO[3,2-d]PYRIMIDINE DIOLS AND SIMILAR PYRIMIDINE DIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 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-20110130563-A1 SYNTHESIS IF DIHYDROTHIENO[3,2-D]PYRIMIDINE DIOLS DPYD, DHODH, PDE4B SLC6A3 1466/4885SLC6A2 2547/4885SLC6A4 1238/4885

“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.