SCHEMBL26812335

SCHEMBL26812335

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCC(O)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTK2 Q05397 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ DCLK1 O15075 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ IRAK1 P51617 1/20 0.33

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
SCHEMBL24310135 0.97 JAK2 (0.34) JAK2JAK3PTK2MAP4K1HTR1A
SCHEMBL26810061 0.91 SMN1; SMN2 (0.34) MAP4K1HTR1AHTR7BRD4TSHR
SCHEMBL26810062 0.91 PIM1 (0.35) HTR1AHTR7LRRK2PIM1
SCHEMBL29566685 0.90 ALDH1A1 (0.37) MAP4K1BRD4TSHRSMN1; SMN2
SCHEMBL29567227 0.90 MAP4K1 (0.43) JAK2JAK3PTK2MAP4K1HTR1A
SCHEMBL24310343 0.90 MAP4K1 (0.43) JAK2JAK3PTK2MAP4K1HTR1A
SCHEMBL26810055 0.90 ALDH1A1 (0.37) MAP4K1BRD4TSHRSMN1; SMN2
SCHEMBL24310087 0.90 ALDH1A1 (0.37) MAP4K1BRD4TSHRSMN1; SMN2
SCHEMBL26810024 0.90 PDE7B (0.37) MAP4K1HTR1AHTR7BRD4EGFR
SCHEMBL26812314 0.90 KMT2A (0.40) TSHRSMN1; SMN2

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 5 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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP 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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