SCHEMBL16644036

SCHEMBL16644036

Cc1c(C(=O)N2CCNC(=O)C2)sc2c1c(=O)n(CCc1ccccc1F)c(=O)n2CCC=C(F)F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.46
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL16637504 0.92 ADORA2B (0.46) ADORA2BACACBACACAADORA2AADORA1
SCHEMBL16637437 0.90 ADORA2B (0.58) ADORA2BACACBACACALMNA
SCHEMBL16637645 0.88 ADORA2B (0.54) ADORA2BACACBACACAADORA2AADORA1
SCHEMBL16637805 0.86 ADORA2B (0.54) ADORA2BACACBACACAADORA2AADORA1
SCHEMBL16637826 0.85 ADORA2B (0.49) ADORA2BACACBACACAADORA2AADORA1
SCHEMBL16637947 0.85 ADORA2B (0.51) ADORA2BACACBACACAADORA2AADORA1
SCHEMBL16637346 0.83 ADORA2B (0.56) ADORA2BACACBACACAPOLBLMNA
SCHEMBL16637424 0.80 ADORA2B (0.51) ADORA2BACACBACACAADORA2AADORA1
SCHEMBL16643787 0.79 ACACB (0.48) ADORA2BACACBACACAPOLBLMNA
SCHEMBL16644063 0.78 ADORA2B (0.59) ADORA2BACACBACACAADORA2AADORA1

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
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
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.