SCHEMBL21964582

SCHEMBL21964582

Cc1cc([N+](=O)[O-])n(C[C@H]2CN(C)CCO2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
MAP3K14 Q99558 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
ATM Q13315 1/20 0.34
ACKR3 P25106 2/20 0.33
HTR6 P50406 1/20 0.33
EPHA2 P29317 3/20 0.33
KDR P35968 3/20 0.33
EPHB4 P54760 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
EGFR P00533 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
ERBB2 P04626 1/20 0.32
DRD4 P21917 1/20 0.32
PDE8B O95263 1/20 0.32
ALOX12 P18054 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
SCHEMBL21960385 1.00 SLC6A2 (0.38) SLC6A2MAP3K14HRH3ATMACKR3
SCHEMBL21960872 0.81 MAP3K14 (0.34) MAP3K14ATMALDH1A1MEN1KMT2A
SCHEMBL23880176 0.81 PDE8B (0.42) ALDH1A1KMT2APDE8B
SCHEMBL21961341 0.79 SLC6A2 (0.39) SLC6A2MAP3K14HRH3ACKR3IRAK4
SCHEMBL21960916 0.79 ACHE (0.39) HTR6ALDH1A1MCOLN3
SCHEMBL21960856 0.79 SLC6A2 (0.39) SLC6A2MAP3K14HRH3ACKR3IRAK4
SCHEMBL21960857 0.79 SLC6A2 (0.39) SLC6A2MAP3K14HRH3ACKR3IRAK4
SCHEMBL23880136 0.78 SLC6A2 (0.39) SLC6A2MAP3K14HRH3ACKR3IRAK4
SCHEMBL23880138 0.78 SLC6A2 (0.39) SLC6A2MAP3K14HRH3ACKR3IRAK4
SCHEMBL23880130 0.78 SLC6A2 (0.39) SLC6A2MAP3K14HRH3ACKR3IRAK4

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 4/4885HRH3 2496/4885

“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.