SCHEMBL21961341

SCHEMBL21961341

Cc1cc(N)n(C[C@H]2CN(C)CCO2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
MAP3K14 Q99558 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
PDE8B O95263 4/20 0.36
HRH3 Q9Y5N1 1/20 0.34
ACKR3 P25106 2/20 0.34
PDE8A O60658 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL21960856 1.00 SLC6A2 (0.39) SLC6A2MAP3K14L3MBTL1POLBPDE8B
SCHEMBL21960857 1.00 SLC6A2 (0.39) SLC6A2MAP3K14L3MBTL1POLBPDE8B
SCHEMBL25745822 0.82 MAP3K14 (0.37) SLC6A2MAP3K14PDE8BHRH3ACKR3
SCHEMBL23880130 0.81 SLC6A2 (0.39) SLC6A2MAP3K14PDE8BHRH3ACKR3
SCHEMBL23880138 0.81 SLC6A2 (0.39) SLC6A2MAP3K14PDE8BHRH3ACKR3
SCHEMBL23880136 0.81 SLC6A2 (0.39) SLC6A2MAP3K14PDE8BHRH3ACKR3
SCHEMBL21960368 0.79 PIK3CA (0.46) L3MBTL1POLBPDE8BGAA
SCHEMBL21964582 0.79 SLC6A2 (0.38) SLC6A2MAP3K14PDE8BHRH3ACKR3
SCHEMBL21960385 0.79 SLC6A2 (0.38) SLC6A2MAP3K14PDE8BHRH3ACKR3
SCHEMBL21961347 0.78 L3MBTL1 (0.40) MAP3K14L3MBTL1POLBGAAMAPT

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 SLC6A2 4797/4885MAP3K14 4/4885L3MBTL1 2728/4885

“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.