SCHEMBL18010229

SCHEMBL18010229

Cc1c(C(=O)O)sc2[nH]c(=O)n(CCc3ccccc3Cl)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.46
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
DAO P14920 1/20 0.40
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
LMNA P02545 2/20 0.38
GNRHR P30968 1/20 0.37
TP53 P04637 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL18010239 0.88 ADORA2B (0.46) ADORA2BALDH1A1MEN1KMT2APOLB
SCHEMBL18010255 0.87 ADORA2B (0.60) ADORA2BALDH1A1MEN1KMT2APOLB
SCHEMBL16643986 0.86 ADORA2B (0.39) ADORA2BALDH1A1MEN1KMT2APOLB
SCHEMBL18010234 0.78 ADORA2B (0.47) ADORA2BALDH1A1HPGDACACBACACA
SCHEMBL5132221 0.78 ALDH1A1 (0.40) ADORA2BALDH1A1MEN1KMT2APOLB
SCHEMBL5130407 0.76 ALDH1A1 (0.41) ADORA2BALDH1A1MEN1KMT2APOLB
SCHEMBL18010254 0.75 ALDH1A1 (0.41) ADORA2BALDH1A1MEN1KMT2APOLB
SCHEMBL7030156 0.75 ACACB (0.58) ADORA2BMEN1KMT2AACACBACACA
SCHEMBL16643985 0.75 P2RX3 (0.40) ADORA2BALDH1A1MEN1KMT2APOLB
SCHEMBL16643798 0.75 ADORA2B (0.57) ADORA2BACACBACACALMNA

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 487/4885ALDH1A1 1328/4885MEN1 3162/4885
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF ADORA2B 487/4885ALDH1A1 1328/4885MEN1 3162/4885

“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.