SCHEMBL21097153

SCHEMBL21097153

COc1cc(CNc2nc(-c3cn(C4CCCN(C(=O)OC(C)(C)C)C4)c4cnc(Br)cc34)c3sccc3n2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.40
ADORA2A P29274 10/20 0.40
ADORA3 P0DMS8 3/20 0.39
DNMT3A Q9Y6K1 1/20 0.37
ACVR1 Q04771 1/20 0.37
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL21096551 0.96 ADORA2B (0.41) ADORA2BADORA2AADORA3DNMT3A
SCHEMBL21096681 0.86 ACVR1 (0.35) ADORA2BADORA2AADORA3ACVR1
SCHEMBL21096789 0.84 ADORA2B (0.35) ADORA2BADORA2AADORA3ACVR1
SCHEMBL21097151 0.83 CDK7 (0.38) ADORA2BADORA2AACVR1
SCHEMBL21096555 0.82 CYP1A2 (0.36) ADORA2BADORA2AACVR1
SCHEMBL21096807 0.77 PIK3CA (0.40) ADORA2BADORA2AADORA3
SCHEMBL21096684 0.76 PIK3CA (0.39) ADORA2BADORA2AADORA3
SCHEMBL16205564 0.73 SRC (0.40)
SCHEMBL21096553 0.70 GAA (0.39) ADORA2BADORA2A
SCHEMBL21097167 0.68 MAP3K14 (0.40) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323045-B2 Thienopyrimidine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 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 (1 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-10323045-B2 Thienopyrimidine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 ADORA2B 4163/4885ADORA2A 4258/4885ADORA3 4139/4885

“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.