SCHEMBL29855321

SCHEMBL29855321

O[C@H]1CC[C@@H](Nc2c(-c3ccccn3)cnc3[nH]ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 1.00
JAK1 P23458 6/20 1.00
JAK2 O60674 4/20 1.00
MERTK Q12866 12/20 0.50
TYRO3 Q06418 11/20 0.48
FLT3 P36888 6/20 0.48
GAS6 Q14393 6/20 0.48
AXL P30530 5/20 0.48
PRKCI P41743 1/20 0.47

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
SCHEMBL22613102 1.00 JAK3 (1.00) JAK3JAK1JAK2MERTKTYRO3
SCHEMBL28919002 0.84 JAK2 (0.72) JAK3JAK1JAK2MERTKTYRO3
SCHEMBL30173276 0.84 JAK2 (0.72) JAK3JAK1JAK2MERTKTYRO3
SCHEMBL22620103 0.80 JAK3 (0.65) JAK3JAK1JAK2MERTKTYRO3
SCHEMBL22613143 0.80 JAK1 (1.00) JAK3JAK1JAK2
SCHEMBL29855590 0.80 JAK1 (1.00) JAK3JAK1JAK2
SCHEMBL28601415 0.76 JAK1 (0.63) JAK3JAK1JAK2MERTKTYRO3
SCHEMBL30173329 0.76 JAK1 (0.63) JAK3JAK1JAK2MERTKTYRO3
SCHEMBL22627349 0.76 JAK2 (0.61) JAK3JAK1JAK2MERTKTYRO3
SCHEMBL20956062 0.75 JAK1 (0.72) JAK3JAK1JAK2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20220372034-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK1 1/4885JAK2 3/4885
US-11420966-B2 Substituted pyrrolopyridines as JAK inhibitors JAK1, JAK3, JAK2 JAK3 2/4885JAK1 1/4885JAK2 3/4885

“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.