SCHEMBL22620135

SCHEMBL22620135

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3nc(C(N)=O)co3)cnc3c2ccn3COCC[Si](C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.49
JAK2 O60674 7/20 0.49
JAK1 P23458 5/20 0.39
BTK Q06187 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP1 P09874 1/20 0.36
BCHE P06276 1/20 0.34
HTR6 P50406 1/20 0.34
BRD4 O60885 1/20 0.34
ADA P00813 2/20 0.34
USP30 Q70CQ3 1/20 0.34
SCN9A Q15858 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL22613086 0.94 JAK3 (0.44) JAK3JAK2JAK1BTKHDAC4
SCHEMBL22613084 0.94 JAK3 (0.44) JAK3JAK2JAK1BTKHDAC4
SCHEMBL22620110 0.94 JAK3 (0.51) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22620182 0.93 JAK3 (0.51) JAK3JAK2JAK1BTKHDAC4
SCHEMBL22620108 0.92 JAK3 (0.42) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22613444 0.91 JAK3 (0.52) JAK3JAK2JAK1
SCHEMBL22613439 0.91 JAK3 (0.52) JAK3JAK2JAK1
SCHEMBL22620140 0.87 JAK3 (0.38) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL22620184 0.87 JAK3 (0.41) JAK3JAK2JAK1HDAC4HDAC6
SCHEMBL29855244 0.85 JAK3 (0.48) JAK3JAK2JAK1BTKHDAC4

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.