SCHEMBL22908889

SCHEMBL22908889

NC(=O)c1ccc2c(c1)nc(-c1c(C(=O)O)sc3cccc(C(F)(F)F)c13)n2CCn1c(-c2c(C(=O)O)sc3cccc(C(F)(F)F)c23)nc2cc(C(N)=O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.48
▸ JAK1 P23458 12/20 0.48
▸ TYK2 P29597 12/20 0.48
▸ JAK3 P52333 12/20 0.48
▸ KIF11 P52732 5/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL22908890 0.89 JAK2 (0.45) JAK2JAK1TYK2JAK3KIF11
SCHEMBL22909074 0.87 JAK2 (0.51) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL24772449 0.86 JAK2 (0.50) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22908952 0.86 JAK2 (0.50) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22908950 0.84 JAK2 (0.48) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22908987 0.84 JAK2 (0.48) JAK2JAK1TYK2JAK3KIF11
SCHEMBL24771134 0.83 JAK2 (0.52) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL24771131 0.83 JAK2 (0.52) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22909071 0.82 STING1 (0.49) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22908896 0.82 JAK2 (0.56) JAK2JAK1TYK2JAK3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206882-B Benzothiophene, thienopyridine and thienopyrimidine derivatives for modulating STING CTXT私人有限公司 2024-11-12 — — CN disclosed
EP-3999185-B1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2023-08-30 — — EP disclosed
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD. (AU) 2022-12-08 — — US disclosed
EP-3999185-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT Pty Limited (AU) 2022-05-25 — — EP disclosed
CN-114206882-A Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING CTXT私人有限公司 2022-03-18 — — CN disclosed
WO-2021009365-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LIMITED (AU) 2021-01-21 — — 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-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING STING1, CGAS, MAVS JAK2 1293/4885JAK1 1245/4885TYK2 980/4885

“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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