SCHEMBL16637713

SCHEMBL16637713

CCOC(=O)c1cc2c(=O)n(CCc3ccccc3)c(=O)n(CCC(F)(F)F)c2s1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.55
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL16643997 0.87 ADORA2B (0.56) ADORA2BACACBACACAMAPT
SCHEMBL14935880 0.87 ACACB (0.54) ADORA2BACACBACACATSHRHSD17B10
SCHEMBL14945702 0.84 ACACB (0.50) ADORA2BACACBACACATSHRHSD17B10
SCHEMBL19611087 0.81 ADORA2B (0.53) ADORA2BACACBACACA
SCHEMBL16643794 0.80 ACACB (0.66) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL16643851 0.79 ADORA2B (0.48) ADORA2BTSHRHSD17B10MAPTSMN1; SMN2
SCHEMBL16643993 0.79 ACACB (0.64) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL16644087 0.79 ADORA2B (0.49) ADORA2BTSHRHSD17B10MAPTSMN1; SMN2
SCHEMBL6258180 0.78 MAPT (0.46) ADORA2BACACBACACATSHRHSD17B10
SCHEMBL16637307 0.77 HSD17B10 (0.52) ADORA2BACACBACACATSHRHSD17B10

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 11 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-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 487/4885ACACB 1062/4885ACACA 996/4885
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF ADORA2B 487/4885ACACB 1062/4885ACACA 996/4885

“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.