SCHEMBL21964585

SCHEMBL21964585

O=[N+]([O-])c1cc(Cl)nn1CC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.37
ABL1 P00519 3/20 0.37
PIK3CD O00329 2/20 0.37
EGFR P00533 2/20 0.37
HCK P08631 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
EPHB4 P54760 2/20 0.37
PRKDC P78527 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
DRD2 P14416 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PRKCQ Q04759 1/20 0.35

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
SCHEMBL21960380 0.84 BRD4 (0.36) SRCABL1PIK3CDEGFRHCK
SCHEMBL21960917 0.83 ACHE (0.39) PIK3CDPIK3CAPIK3CBPIK3CGNR3C1
SCHEMBL23880267 0.79 BRD4 (0.34) PIK3CABRD4
SCHEMBL21961379 0.79 ADRA1A (0.41) DRD2
SCHEMBL21960375 0.79 ADRA1A (0.41) DRD2
SCHEMBL21961427 0.79 MAP3K14 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL21960970 0.78 ABL1 (0.36) SRCABL1PIK3CDEGFRHCK
SCHEMBL21960974 0.78 MAP3K14 (0.36)
SCHEMBL21964565 0.76 ACHE (0.34) DRD2
SCHEMBL21961423 0.76 MAP3K12 (0.39) PIK3CDPIK3CAPIK3CBPIK3CG

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 SRC 561/4885ABL1 926/4885PIK3CD 283/4885

“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.