SCHEMBL21960342

SCHEMBL21960342

Cc1cc(N)n(CC2CCN(CC(F)(F)F)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
MAP3K12 Q12852 1/20 0.37
DCPS Q96C86 1/20 0.37
CRHR1 P34998 2/20 0.37
POLB P06746 1/20 0.37
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H2 P55055 6/20 0.34
NR1H3 Q13133 5/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 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
SCHEMBL21961360 0.84 MAP3K14 (0.39) MAP3K14MAP3K12DCPSPIK3CAPIK3CB
SCHEMBL21960831 0.83 MAP3K14 (0.38) MAP3K14CRHR1POLBL3MBTL1MEN1
SCHEMBL21964544 0.80 POLB (0.42) CRHR1POLBL3MBTL1MEN1MAPT
SCHEMBL21961429 0.79 MAP3K14 (0.37) MAP3K14MAP3K12CRHR1NR1H2NR1H3
SCHEMBL21964545 0.78 MAP3K12 (0.41) MAP3K14MAP3K12POLBPIK3CAPIK3CB
SCHEMBL25747181 0.76 CNR1 (0.37) MAP3K14MAP3K12CRHR1NR1H2NR1H3
SCHEMBL21960838 0.75 ALDH1A1 (0.39) CRHR1MEN1KMT2A
SCHEMBL21961322 0.75 MAP3K14 (0.42) MAP3K14CRHR1TLR9TLR8TLR7
SCHEMBL21960869 0.75 L3MBTL1 (0.42) MAP3K14CRHR1POLBPIK3CAL3MBTL1
SCHEMBL21960822 0.72 POLB (0.45) CRHR1POLBL3MBTL1

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 MAP3K14 4/4885MAP3K12 7/4885DCPS 4495/4885

“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.