SCHEMBL21964545

SCHEMBL21964545

COCCN1CCC(Cn2nc(C)cc2N)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 4/20 0.41
MAP3K14 Q99558 1/20 0.40
GSK3B P49841 7/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
HRH1 P35367 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL21960912 0.86 MAP3K12 (0.45) MAP3K12MAP3K14GSK3BPIK3CDPIK3R2
SCHEMBL21960831 0.84 MAP3K14 (0.38) MAP3K14L3MBTL1POLBHRH1MEN1
SCHEMBL21964544 0.82 POLB (0.42) L3MBTL1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL21960896 0.80 PIK3CD (0.39) MAP3K12MAP3K14GSK3BPIK3CDPIK3R2
SCHEMBL21960838 0.79 ALDH1A1 (0.39) GSK3BMEN1KMT2A
SCHEMBL21960342 0.78 MAP3K14 (0.39) MAP3K12MAP3K14PIK3CAPIK3CBL3MBTL1
SCHEMBL11697399 0.77 L3MBTL1 (0.47) L3MBTL1POLBMEN1MAPK1KMT2A
SCHEMBL21961322 0.74 MAP3K14 (0.42) MAP3K14MEN1KMT2A
SCHEMBL21960869 0.74 L3MBTL1 (0.42) MAP3K14PIK3CAL3MBTL1POLBMEN1
SCHEMBL21961343 0.73 KCNH2 (0.40) MAP3K14PIK3CDPIK3R2PIK3CAPIK3CB

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 MAP3K12 7/4885MAP3K14 4/4885GSK3B 180/4885

“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.