SCHEMBL21096798

SCHEMBL21096798

Nc1nc(-c2cn(C3COC3)c3cnc(Br)cc23)c2sccc2n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
MAP3K14 Q99558 3/20 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
SCHEMBL21096808 0.87 MAP3K14 (0.46) ADORA2AADORA1PIK3CAMTORMAP3K14
SCHEMBL21097146 0.87 ADORA2A (0.37) ADORA2AADORA1PIK3CAMTORMAP3K14
SCHEMBL21096679 0.86 MAP3K14 (0.39) ADORA2AADORA1PIK3CAMTORMAP3K14
SCHEMBL21096678 0.83 MAP3K14 (0.44) ADORA2AADORA1PIK3CAMTORMAP3K14
SCHEMBL21097167 0.81 MAP3K14 (0.40) ADORA2AADORA1MTORMAP3K14
SCHEMBL21096520 0.81 MAP3K14 (0.55) MAP3K14
SCHEMBL16205749 0.80 MTOR (0.32) MTORMAP3K14
SCHEMBL21096807 0.80 PIK3CA (0.40) ADORA2APIK3CAMAP3K14
SCHEMBL21096684 0.79 PIK3CA (0.39) ADORA2APIK3CAMAP3K14
SCHEMBL16205608 0.78 MTOR (0.37) PIK3CAMTORMAP3K14

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 ADORA2A 4258/4885ADORA1 4195/4885PIK3CA 164/4885

“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.