SCHEMBL18010243

SCHEMBL18010243

CCCn1c(=O)c2c(C)c(C(=O)O)sc2n(CC)c1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.55
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
LMNA P02545 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
SCHEMBL18097326 0.92 ADORA2B (0.53) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL16637750 0.86 ADORA2B (0.73) ADORA2BACACBACACA
SCHEMBL5430644 0.86 ADORA2B (0.48) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL16637949 0.85 ADORA2B (0.62) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL5438969 0.83 ADORA2B (0.47) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL18010252 0.83 ADORA2B (0.40) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL18010250 0.83 ADORA2B (0.40) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL16643810 0.83 MEN1 (0.48) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL16637661 0.82 ADORA2B (0.57) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL16637157 0.82 ADORA2B (0.71) ADORA2BADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160244461-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-25 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 (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 487/4885MEN1 3162/4885KMT2A 2559/4885
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF ADORA2B 487/4885MEN1 3162/4885KMT2A 2559/4885

“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.