SCHEMBL21960972

SCHEMBL21960972

Cc1cc([N+](=O)[O-])n(CC2CCN(CC(=O)N(C)C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.40
TLR9 Q9NR96 10/20 0.36
TLR8 Q9NR97 10/20 0.36
TLR7 Q9NYK1 10/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CDK9 P50750 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL21964567 0.85 POLB (0.38) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL21961322 0.82 MAP3K14 (0.42) MAP3K14TLR9TLR8TLR7MEN1
SCHEMBL21960916 0.80 ACHE (0.39) SMN1; SMN2
SCHEMBL21961433 0.80 MAP3K14 (0.36) MAP3K14MEN1KMT2ADRD2
SCHEMBL21961429 0.79 MAP3K14 (0.37) MAP3K14TLR9TLR8TLR7
SCHEMBL21960896 0.78 PIK3CD (0.39) MAP3K14MEN1KMT2A
SCHEMBL21960895 0.75 MAPT (0.42)
SCHEMBL21960380 0.75 BRD4 (0.36) SMN1; SMN2
SCHEMBL21960387 0.75 BRD4 (0.37) MAP3K14
SCHEMBL21960386 0.73 MAP3K14 (0.37) MAP3K14SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE MAP3K14 4/4885TLR9 1157/4885TLR8 1047/4885

“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.