SCHEMBL19626249

SCHEMBL19626249

CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cn(COCC[Si](C)(C)C)nc3Cl)c3cc(Br)c(F)cc32)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
IL1B P01584 2/20 0.34
P2RX7 Q99572 2/20 0.34
SCN9A Q15858 1/20 0.34
IDO1 P14902 1/20 0.33
SRC P12931 4/20 0.33
BTK Q06187 3/20 0.33
TRPV3 Q8NET8 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
EGFR P00533 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
FPR2 P25090 1/20 0.32
ABL1 P00519 1/20 0.32
ABL2 P42684 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL19626259 0.93 IL1B (0.34) KDM1AIL1BP2RX7SCN9AIDO1
SCHEMBL19626265 0.92 PRKCG (0.37) KDM1AIL1BP2RX7SCN9AIDO1
SCHEMBL19629472 0.91 SCN9A (0.36) KDM1AIL1BP2RX7SCN9ASRC
SCHEMBL19629423 0.84 IL1B (0.33) IL1BP2RX7SCN9AIDO1SRC
SCHEMBL19629574 0.82 GPR119 (0.38) KDM1ASCN9AGPR119
SCHEMBL19626260 0.82 MAP3K14 (0.39) KDM1A
SCHEMBL19626246 0.82 MAP3K14 (0.33) KDM1A
SCHEMBL16608659 0.80 PRKCG (0.37) KDM1ASRCGPR119
SCHEMBL19626258 0.74 DGAT1 (0.34)
SCHEMBL19629572 0.72 MAP3K14 (0.38) KDM1A

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 3 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
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 KDM1A 2148/4885IL1B 362/4885P2RX7 2310/4885

“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.