SCHEMBL24336992

SCHEMBL24336992

CC[C@@H]1C[C@@H](Nc2nc(Nc3cc(C)[nH]n3)cc3ncccc23)C[C@H](C)N1CCC#N

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.77
▸ TYK2 P29597 19/20 0.77
▸ JAK1 P23458 14/20 0.77
▸ JAK2 O60674 13/20 0.77
▸ P2RX3 P56373 1/20 0.57
▸ P2RX2 Q9UBL9 1/20 0.57

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
SCHEMBL24690098 1.00 JAK3 (0.77) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL25594366 1.00 JAK3 (0.77) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24336999 1.00 JAK3 (0.77) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24337135 0.95 JAK3 (0.81) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL21229884 0.95 JAK3 (0.81) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL22055332 0.89 JAK3 (0.71) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL22054495 0.89 JAK3 (0.70) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL22055305 0.88 JAK3 (0.69) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24995517 0.88 JAK3 (0.92) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL23878812 0.88 JAK3 (0.92) JAK3TYK2JAK1JAK2P2RX3

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-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds Theravance Biopharma R&D LP, LLC (US) 2023-08-29 — — US disclosed
US-20220112219-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2022-04-14 — — 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-20220112219-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS JAK1, JAK3, JAK2 JAK3 2/4885TYK2 50/4885JAK1 1/4885
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds JAK1, JAK3, JAK2 JAK3 2/4885TYK2 50/4885JAK1 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.

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