SCHEMBL22654582

SCHEMBL22654582

C[SiH](C)OC(c1ccc2c(c1)cc(-c1cc(N)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.33
NR1H3 Q13133 3/20 0.32
NPC1 O15118 1/20 0.30
TTK P33981 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
EED O75530 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
SCHEMBL935861 0.90 NR1H2 (0.32) NR1H2
SCHEMBL12913266 0.85 NR1H2 (0.39) NR1H2NR1H3NPC1BRD4CREBBP
SCHEMBL12913226 0.83 NR1H2 (0.41) NR1H2NR1H3NPC1
SCHEMBL950021 0.83 NR1H2 (0.49) NR1H2NR1H3BRD4CREBBP
SCHEMBL951156 0.82 KLKB1 (0.34) NR1H2
SCHEMBL935475 0.81 NR1H2 (0.38) NR1H2NR1H3NPC1BRD4CREBBP
SCHEMBL1057502 0.81 RPS6KA3 (0.31) TTK
SCHEMBL935102 0.80 NR1H2 (0.38) NR1H2NR1H3NPC1
SCHEMBL948175 0.80 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBP
SCHEMBL935103 0.80 NR1H2 (0.34) NR1H2NR1H3NPC1BRD4CREBBP

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-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 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-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B NR1H2 3426/4885NR1H3 3519/4885NPC1 4017/4885

“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.