SCHEMBL22054547

SCHEMBL22054547

CN(c1nc(Nc2cc(CO)[nH]n2)c2ccsc2n1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.58
▸ TYK2 P29597 17/20 0.58
▸ JAK2 O60674 10/20 0.58
▸ JAK3 P52333 12/20 0.53

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
SCHEMBL30147252 1.00 JAK1 (0.58) JAK1TYK2JAK2JAK3
SCHEMBL23878958 0.92 JAK3 (0.53) JAK1TYK2JAK2JAK3
SCHEMBL22054605 0.92 JAK3 (0.53) JAK1TYK2JAK2JAK3
SCHEMBL23878898 0.90 JAK1 (0.56) JAK1TYK2JAK2JAK3
SCHEMBL30147194 0.89 JAK3 (0.49) JAK1TYK2JAK2JAK3
SCHEMBL24995872 0.89 JAK3 (0.49) JAK1TYK2JAK2JAK3
SCHEMBL24995570 0.85 JAK1 (0.57) JAK1TYK2JAK2JAK3
SCHEMBL22054226 0.83 JAK1 (0.47) JAK1TYK2JAK2JAK3
SCHEMBL23889629 0.83 JAK1 (0.47) JAK1TYK2JAK2JAK3
SCHEMBL30147222 0.83 JAK1 (0.47) JAK1TYK2JAK2JAK3

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
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 — — US disclosed
WO-2021238908-A1 SALT AND CRYSTAL FORM OF HETEROARYL DERIVATIVE, AND PREPARATION METHOD THEREFOR 上海翰森生物医药科技有限公司 2021-12-02 — — WO disclosed
WO-2020108613-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-06-04 — — 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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB JAK1 12/4885TYK2 105/4885JAK2 19/4885

“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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