SCHEMBL16637754

SCHEMBL16637754

O=C1CN(C(=O)c2sc3c(c2C(F)(F)F)c(=O)n(CCc2ccccc2)c(=O)n3CCC(F)(F)F)CCN1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.48
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL16644063 0.91 ADORA2B (0.59) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16644090 0.89 ADORA2B (0.47) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16643938 0.86 ADORA2B (0.56) ADORA2BADORA2AADORA1POLB
SCHEMBL16637289 0.85 ADORA2B (0.60) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16643799 0.83 ADORA2B (0.59) ADORA2BACACBACACA
SCHEMBL16637619 0.82 ADORA2B (0.57) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637647 0.81 ADORA2B (0.64) ADORA2BACACBACACA
SCHEMBL16637645 0.81 ADORA2B (0.54) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637424 0.80 ADORA2B (0.51) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637245 0.79 ADORA2B (0.53) ADORA2BADORA2AADORA1ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-25 US disclosed
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-25 US disclosed
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-25 US disclosed
US-9604996-B2 Cyclic thienouracil-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 US disclosed
US-9604996-B2 Cyclic thienouracil-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 US disclosed
US-9604996-B2 Cyclic thienouracil-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 US disclosed
US-20160244461-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
EP-3055313-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-08-17 EP disclosed
WO-2015052065-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-16 WO disclosed
WO-2015052065-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-16 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-20160244461-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF ADORA2B 487/4885ADORA2A 167/4885ADORA1 451/4885
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF ADORA2B 487/4885ADORA2A 167/4885ADORA1 451/4885

“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.