SCHEMBL18097296

SCHEMBL18097296

CCn1c(=O)c2c(C)c(C(=O)OC)sc2n(CCC(F)(F)F)c1=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 16/20 0.68
ADORA2A P29274 5/20 0.64
ADORA1 P30542 5/20 0.64
ADORA3 P0DMS8 3/20 0.52
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.40

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
SCHEMBL16643789 0.89 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL16643996 0.87 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL18096903 0.87 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL18097510 0.85 ADORA2B (0.69) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL18097066 0.85 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL19943938 0.82 ADORA2B (0.67) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL19924000 0.82 ADORA2B (0.64) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL19924001 0.82 ADORA2B (0.64) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL18096985 0.82 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL18096975 0.82 ADORA2B (0.74) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428083-B2 Heterocyclylmethyl-thienouracile as antagonists of the adenosine-A2B-receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 US disclosed
US-10428083-B2 Heterocyclylmethyl-thienouracile as antagonists of the adenosine-A2B-receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 US disclosed
EP-3274352-B1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma AG (DE) 2019-01-02 EP disclosed
US-20180065981-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-08 US disclosed
US-20180065981-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-08 US disclosed
US-20180065981-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-08 US disclosed
EP-3274352-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-01-31 EP disclosed
WO-2016150901-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 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-20180065981-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR ADORA2A, ADORA2B, ADORA3 ADORA2B 2/4885ADORA2A 1/4885ADORA1 5/4885
US-10428083-B2 Heterocyclylmethyl-thienouracile as antagonists of the adenosine-A2B-receptor ADORA2A, ADORA2B, ADORA3 ADORA2B 2/4885ADORA2A 1/4885ADORA1 5/4885

“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.