SCHEMBL21097167

SCHEMBL21097167

CCN1CCCC(n2cc(-c3nc(N)nc4ccsc34)c3cc(Br)ncc32)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 6/20 0.40
HTR6 P50406 9/20 0.36
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HDAC1 Q13547 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
MTOR P42345 1/20 0.30

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
SCHEMBL21096678 0.95 MAP3K14 (0.44) MAP3K14HTR6ADORA2AADORA1MTOR
SCHEMBL21096808 0.85 MAP3K14 (0.46) MAP3K14ADORA2AADORA1MTOR
SCHEMBL16205347 0.83 MAP3K14 (0.43) MAP3K14HTR6
SCHEMBL21096679 0.82 MAP3K14 (0.39) MAP3K14ADORA2AADORA1MTOR
SCHEMBL21096681 0.82 ACVR1 (0.35) HTR6ADORA2A
SCHEMBL21097146 0.81 ADORA2A (0.37) MAP3K14ADORA2AADORA1MTOR
SCHEMBL21096798 0.81 ADORA2A (0.38) MAP3K14ADORA2AADORA1MTOR
SCHEMBL21096536 0.79 MAP3K14 (0.34) MAP3K14ADORA2AADORA1
SCHEMBL16205343 0.78 MAP3K14 (0.47) MAP3K14HTR6MTOR
SCHEMBL21096789 0.77 ADORA2B (0.35) 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 MAP3K14 1/4885HTR6 4475/4885ADORA2A 4258/4885

“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.