SCHEMBL24309714

SCHEMBL24309714

CCc1c(Oc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3O)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ADAM17 P78536 2/20 0.32
▸ IRAK1 P51617 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.32
▸ TGFBR1 P36897 5/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCND3 P30281 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ LIMK2 P53671 1/20 0.31

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
SCHEMBL29566802 1.00 JAK2 (0.37) JAK2JAK3PTK2USP30CYP3A4
SCHEMBL24309890 0.90 HTR1A (0.32) ALK
SCHEMBL29566792 0.90 HTR1A (0.32) ALK
SCHEMBL24309716 0.88 ENPP2 (0.34) JAK2JAK3PTK2USP30CYP3A4
SCHEMBL29568076 0.84 JAK2 (0.32) JAK2JAK3PTK2ALK
SCHEMBL24309889 0.84 JAK2 (0.32) JAK2JAK3PTK2ALK
SCHEMBL29567020 0.82 HTR1A (0.34) JAK2JAK3PTK2
SCHEMBL24310616 0.82 HTR1A (0.34) JAK2JAK3PTK2
SCHEMBL26811513 0.79 AURKA (0.36) —
SCHEMBL26811433 0.79 HSD11B1 (0.35) —

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B JAK2 3498/4885JAK3 3929/4885PTK2 3114/4885

“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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