SCHEMBL19629423

SCHEMBL19629423

CC(C)(C)OC(=O)N1CC(n2cc(-c3cn(COCCS(C)(C)C)nc3Cl)c3cc(Br)c(F)cc32)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.33
P2RX7 Q99572 2/20 0.33
GPR119 Q8TDV5 5/20 0.33
IDO1 P14902 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
SCN9A Q15858 2/20 0.31
KAT8 Q9H7Z6 2/20 0.31
KAT5 Q92993 1/20 0.31
USP30 Q70CQ3 1/20 0.31
SRC P12931 1/20 0.30
KAT6A Q92794 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL19629472 0.93 SCN9A (0.36) IL1BP2RX7GPR119SCN9ASRC
SCHEMBL19629574 0.93 GPR119 (0.38) GPR119SCN9A
SCHEMBL19626259 0.90 IL1B (0.34) IL1BP2RX7GPR119IDO1CCNT1
SCHEMBL19626249 0.84 KDM1A (0.35) IL1BP2RX7GPR119IDO1SCN9A
SCHEMBL19626265 0.83 PRKCG (0.37) IL1BP2RX7GPR119IDO1SCN9A
SCHEMBL19629572 0.82 MAP3K14 (0.38)
SCHEMBL20193265 0.80 GPR119 (0.39) GPR119SCN9ASRC
SCHEMBL19629486 0.77
SCHEMBL20193213 0.75 GPR119 (0.36) GPR119USP30SRC
SCHEMBL19629509 0.74 MAP3K14 (0.35)

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-9981962-B2 Pyrazole derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 US 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-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K21 IL1B 362/4885P2RX7 2310/4885GPR119 341/4885

“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.