SCHEMBL22428979

SCHEMBL22428979

Cc1ccc(S(=O)(=O)n2ccc3c(N(C)[C@@H]4CN(Cc5ccccc5)CC[C@@H]4C)ncnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.57
▸ JAK2 O60674 5/20 0.57
▸ JAK1 P23458 4/20 0.57
▸ TYK2 P29597 1/20 0.57
▸ HTR6 P50406 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SCN8A Q9UQD0 4/20 0.38
▸ SCN1A P35498 2/20 0.38
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CD4 P01730 2/20 0.37
▸ SORT1 Q99523 1/20 0.37

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
SCHEMBL28407748 1.00 JAK3 (0.57) JAK3JAK2JAK1TYK2HTR6
SCHEMBL1376989 1.00 JAK3 (0.57) JAK3JAK2JAK1TYK2HTR6
SCHEMBL1374052 1.00 JAK3 (0.57) JAK3JAK2JAK1TYK2HTR6
SCHEMBL13693112 0.95 JAK3 (0.60) JAK3JAK2JAK1TYK2HTR6
SCHEMBL12148936 0.89 JAK3 (0.42) JAK3JAK2JAK1TYK2HTR6
SCHEMBL17711593 0.88 JAK3 (0.62) JAK3JAK2JAK1TYK2SMN1; SMN2
SCHEMBL19757371 0.88 HTR6 (0.47) JAK3JAK2JAK1TYK2HTR6
SCHEMBL17527473 0.86 HTR6 (0.47) JAK3JAK2JAK1TYK2HTR6
SCHEMBL17527471 0.86 HTR6 (0.47) JAK3JAK2JAK1TYK2HTR6
SCHEMBL24755055 0.84 JAK3 (0.61) JAK3JAK2JAK1TYK2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111265668-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-06-12 — — CN claimed
US-20220153743-A1 PROCESS FOR PREPARATION OF TOFACITINIB AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF INTAS PHARMACEUTICALS LTD. (IN) 2022-05-19 — — US disclosed
WO-2020183295-A1 PROCESS FOR PREPARATION OF TOFACITINIB AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF INTAS PHARMACEUTICALS LTD. (IN) 2020-09-17 — — 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 (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-20220153743-A1 PROCESS FOR PREPARATION OF TOFACITINIB AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885JAK1 2/4885

“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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