SCHEMBL21096565

SCHEMBL21096565

COCCCn1cc(-c2nc(N)nc3ccsc23)c2cc(Br)ncc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 6/20 0.45
DYRK1A Q13627 2/20 0.42
MAPKAPK2 P49137 1/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CHUK O15111 2/20 0.36
PDK1 Q15118 1/20 0.33
GSK3B P49841 2/20 0.31
NFATC1 O95644 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL21096677 0.89 MAP3K14 (0.39) MAP3K14DYRK1AMAPKAPK2ADORA2AADORA1
SCHEMBL21096568 0.83 MAP3K14 (0.61) MAP3K14CHUK
SCHEMBL16205375 0.82 MAP3K14 (0.44) MAP3K14DYRK1AMAPKAPK2CHUKPDK1
SCHEMBL19626703 0.82 MAP3K14 (0.64) MAP3K14DYRK1AMAPKAPK2CHUKPDK1
SCHEMBL16205373 0.81 MAP3K14 (0.43) MAP3K14DYRK1AMAPKAPK2CHUKPDK1
SCHEMBL16205694 0.78 DYRK1A (0.67) MAP3K14DYRK1AMAPKAPK2CHUKGSK3B
SCHEMBL16205374 0.76 DYRK1A (0.48) MAP3K14DYRK1AMAPKAPK2CHUKGSK3B
SCHEMBL18828067 0.76 DYRK1A (0.50) MAP3K14DYRK1AMAPKAPK2CHUKPDK1
SCHEMBL21096536 0.76 MAP3K14 (0.34) MAP3K14ADORA2AADORA1
SCHEMBL16205695 0.75 DYRK1A (0.49) MAP3K14DYRK1AMAPKAPK2CHUKPDK1

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 1/4885DYRK1A 955/4885MAPKAPK2 36/4885

“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.