SCHEMBL24310069

SCHEMBL24310069

Cc1cccc(C)c1-c1cc(Oc2ccc(C3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 2/20 0.36
▸ JAK2 O60674 4/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ BTK Q06187 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HIPK1 Q86Z02 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34
▸ HIPK3 Q9H422 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL26810208 0.95 KDM4E (0.34) NMT1JAK1HTR1AHTR7SLC8A1
SCHEMBL26857429 0.93 NMT1 (0.39) NMT1JAK2JAK1JAK3TYK2
SCHEMBL29566994 0.92 TSHR (0.34) JAK1HTR1AHTR7SLC8A1BRD4
SCHEMBL24310197 0.92 TSHR (0.34) JAK1HTR1AHTR7SLC8A1BRD4
SCHEMBL26810207 0.91 HTR6 (0.36) IKBKBSLC8A1KDM4EALDH1A1LMNA
SCHEMBL24310170 0.91 BRD4 (0.38) JAK2JAK3HTR1AHTR7DYRK1A
SCHEMBL26812289 0.89 TSHR (0.34) JAK1EGFRHTR1AHTR7SLC8A1
SCHEMBL24310152 0.88 HTR1A (0.32) HTR1AHTR7SLC8A1BRD4TSHR
SCHEMBL29566324 0.88 HTR1A (0.32) HTR1AHTR7SLC8A1BRD4TSHR
SCHEMBL24310118 0.88 SCN9A (0.33) JAK2JAK1JAK3TYK2IKBKB

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 NMT1 266/4885JAK2 3498/4885JAK1 3913/4885

“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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