SCHEMBL26326435

SCHEMBL26326435

CC(C)(C)OC(=O)N1CCC(C(=O)c2c([N+](=O)[O-])cnc3c2cc(Cl)n3COCC[Si](C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 3/20 0.36
NR1D1 P20393 2/20 0.35
GPR119 Q8TDV5 3/20 0.34
STS P08842 5/20 0.34
USP30 Q70CQ3 3/20 0.34
KLKB1 P03952 1/20 0.33
MAPK8 P45983 1/20 0.33
PIK3CD O00329 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL24176212 0.91 PARP1 (0.35) PARP1PARP2NR1D1GPR119STS
SCHEMBL26326436 0.87 USP30 (0.37) GPR119USP30KLKB1PIK3CD
SCHEMBL26326433 0.84 NR1D1 (0.34) PARP1PARP2NR1D1GPR119KLKB1
SCHEMBL30586616 0.84 NR1D1 (0.34) PARP1PARP2NR1D1GPR119KLKB1
SCHEMBL26326387 0.84 NPC1 (0.33) PIK3CD
SCHEMBL24176216 0.79 USP30 (0.37) GPR119USP30PIK3CD
SCHEMBL24166214 0.75 USP30 (0.39) GPR119USP30KLKB1PIK3CD
SCHEMBL24176075 0.75 GPR119 (0.35) NR1D1GPR119FAAH
SCHEMBL26326421 0.75 NPC1 (0.37)
SCHEMBL24176071 0.75 PIK3CD (0.31) PIK3CD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767323-B2 Tricyclic pyridone compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-09-26 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-11767323-B2 Tricyclic pyridone compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 PARP1 792/4885PARP2 816/4885NR1D1 3216/4885

“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.