SCHEMBL21960901

SCHEMBL21960901

Nc1cc(C(=O)N2CCCC2)n(C2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL3 Q96JM7 8/20 0.39
▸ L3MBTL1 Q9Y468 8/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MBTD1 Q05BQ5 2/20 0.36
▸ TP53BP1 Q12888 1/20 0.36
▸ L3MBTL4 Q8NA19 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.35
▸ LRRK2 Q5S007 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
SCHEMBL21960919 0.80 L3MBTL3 (0.38) KDM4EL3MBTL3L3MBTL1ALDH1A1NPC1
SCHEMBL21960936 0.78 PKM (0.40) L3MBTL3L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL21960357 0.77 PDE7A (0.44) PIK3CDPDE7AMAP3K14
SCHEMBL14912522 0.75 KDM4E (0.46) KDM4EHSD11B1ALDH1A1NPC1RAB9A
SCHEMBL31052495 0.67 HPGD (0.43) KDM4EPIK3CDPDE7AALDH1A1NPC1
SCHEMBL10282157 0.66 HPGD (0.45) KDM4EPDE7AALDH1A1NPC1RAB9A
SCHEMBL31612962 0.64 NR3C2 (0.35) KDM4EPIK3CDALDH1A1
SCHEMBL14912963 0.63 SMN1; SMN2 (0.47) KDM4EL3MBTL1NPC1RAB9A
SCHEMBL25400204 0.63 KCNJ3 (0.45) KDM4EALDH1A1
SCHEMBL26643742 0.63 HCAR3 (0.41) PDE7A

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 KDM4E 2358/4885L3MBTL3 2658/4885L3MBTL1 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.

Send feedback