SCHEMBL21964579

SCHEMBL21964579

CCOC(=O)c1cc(N)n(C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.42
PDE4D Q08499 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9941672 0.84 CYP1A2 (0.45) ADORA3ADORA2AADORA1KMT2AMEN1
SCHEMBL6734669 0.83 CYP1A2 (0.44) ADORA3ADORA2AADORA1KMT2AALDH1A1
SCHEMBL5208277 0.83 CYP1A2 (0.44) ADORA3ADORA2AADORA1KMT2AMAPT
SCHEMBL22012919 0.83 MAPK1 (0.38) ADORA3ALDH1A1MAPTTSHRMAPK1
SCHEMBL21244231 0.82 CYP1A2 (0.42) ADORA3ADORA2AADORA1KMT2AMEN1
SCHEMBL13770561 0.81 KMT2A (0.45) ADORA3ADORA2AADORA1KMT2AMEN1
SCHEMBL22435258 0.81 CYP1A2 (0.41) ADORA3ADORA2AADORA1KMT2AMAPT
SCHEMBL20094452 0.81 CYP1A2 (0.41) ADORA3ADORA2AADORA1KMT2AALDH1A1
SCHEMBL30979681 0.81 KMT2A (0.42) ADORA3ADORA2AADORA1KMT2AMAPT
SCHEMBL12952509 0.80 KMT2A (0.46) ADORA3KMT2AMEN1ALDH1A1MAPT

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 ADORA3 4531/4885ADORA2A 4530/4885ADORA1 4701/4885

“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.