SCHEMBL21964529

SCHEMBL21964529

Cc1nn(CC2CCOCC2)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.38
▸ CTSE P14091 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ BRD4 O60885 4/20 0.36
▸ BAZ2A Q9UIF9 2/20 0.36
▸ CDC7 O00311 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ ROCK1 Q13464 1/20 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
SCHEMBL15650720 0.89 MAPT (0.36) PIK3CAPIK3CDMEN1MAPTRAB9A
SCHEMBL17459062 0.84 RAB9A (0.46) BACE1MEN1MAPTRAB9AKMT2A
SCHEMBL26452854 0.79 BRD4 (0.35) CTSDCTSEBACE1BRD4BAZ2A
SCHEMBL21960361 0.77 ALDH1A1 (0.36) CTSDCTSEBACE1BRD4BAZ2A
SCHEMBL17458973 0.76 BRD4 (0.38) BRD4MEN1MAPTRAB9AKMT2A
SCHEMBL24896479 0.74 MAP3K14 (0.34) CTSDCTSEBACE1BRD4BAZ2A
SCHEMBL22648259 0.73 CNR2 (0.38) MAPK1CNR2FGFR1FGFR4MAPT
SCHEMBL5021087 0.72 LRRK2 (0.41) PIK3CA
SCHEMBL21960869 0.72 L3MBTL1 (0.42) CTSDCTSEBACE1BRD4BAZ2A
SCHEMBL22703589 0.72 AXL (0.44) —

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 CTSD 2560/4885CTSE 2297/4885BACE1 2175/4885

“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.

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