SCHEMBL22620140

SCHEMBL22620140

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ncco3)cnc3c2ccn3COCC[Si](C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.38
JAK2 O60674 7/20 0.38
JAK1 P23458 5/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ANO1 Q5XXA6 1/20 0.36
BCHE P06276 1/20 0.36
HTR6 P50406 1/20 0.36
USP30 Q70CQ3 3/20 0.35
PIK3CD O00329 1/20 0.35
BRD4 O60885 1/20 0.34
GABRA5 P31644 1/20 0.34
ADA P00813 1/20 0.34

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
SCHEMBL22613281 0.91 JAK3 (0.40) JAK3JAK2JAK1
SCHEMBL22613278 0.91 JAK3 (0.40) JAK3JAK2JAK1
SCHEMBL22620184 0.90 JAK3 (0.41) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22613086 0.88 JAK3 (0.44) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22613084 0.88 JAK3 (0.44) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22613141 0.88 JAK3 (0.43) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22613113 0.88 JAK3 (0.48) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL29855244 0.88 JAK3 (0.48) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22613140 0.88 JAK3 (0.43) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22613075 0.87 BCHE (0.40) JAK3JAK1HDAC4HDAC6ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220372034-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2022-11-24 US disclosed
US-11420966-B2 Substituted pyrrolopyridines as JAK inhibitors ACLARIS THERAPEUTICS, INC. 2022-08-23 US disclosed
US-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-11-05 US disclosed
WO-2020223728-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-11-05 WO 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 (3 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-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 1/4885
US-20220372034-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 1/4885
US-11420966-B2 Substituted pyrrolopyridines as JAK inhibitors JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 1/4885

“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.