SCHEMBL21961322

SCHEMBL21961322

Cc1cc(N)n(CC2CCN(CC(=O)N(C)C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.42
DRD2 P14416 1/20 0.40
TLR9 Q9NR96 7/20 0.38
TLR8 Q9NR97 7/20 0.38
TLR7 Q9NYK1 7/20 0.38
ABL1 P00519 2/20 0.37
EGFR P00533 2/20 0.37
SRC P12931 2/20 0.37
ABL2 P42684 2/20 0.37
LCK P06239 1/20 0.37
CDK9 P50750 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CRHR1 P34998 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCNT1 O60563 1/20 0.36
CASP3 P42574 1/20 0.35
CASP7 P55210 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
SCHEMBL21960838 0.83 ALDH1A1 (0.39) ABL1EGFRSRCABL2LCK
SCHEMBL21960972 0.82 MAP3K14 (0.40) MAP3K14DRD2TLR9TLR8TLR7
SCHEMBL21960820 0.79 NPSR1 (0.49) DRD2ALDH1A1TSHRNPSR1
SCHEMBL21964544 0.76 POLB (0.42) ABL1SRCLCKMEN1KMT2A
SCHEMBL21960831 0.76 MAP3K14 (0.38) MAP3K14DRD2ABL1SRCMEN1
SCHEMBL21960342 0.75 MAP3K14 (0.39) MAP3K14DRD2TLR9TLR8TLR7
SCHEMBL21964545 0.74 MAP3K12 (0.41) MAP3K14MEN1KMT2A
SCHEMBL21960869 0.71 L3MBTL1 (0.42) MAP3K14MEN1KMT2ACRHR1NPSR1
SCHEMBL21961343 0.70 KCNH2 (0.40) MAP3K14MEN1KMT2ATSHRNPSR1
SCHEMBL21960348 0.70 MAP3K14 (0.39) MAP3K14MEN1KMT2AALDH1A1CRHR1

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 4/4885DRD2 4703/4885TLR9 1157/4885

“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.