SCHEMBL24309496

SCHEMBL24309496

CCc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1c(C)c(C)cc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 12/20 0.36
▸ ACVR1 Q04771 11/20 0.36
▸ RIPK2 O43353 10/20 0.36
▸ HTR6 P50406 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCND2 P30279 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ JAK3 P52333 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
SCHEMBL29567256 1.00 NOD2 (0.36) NOD2ACVR1RIPK2HTR6CCNB2
SCHEMBL29566401 0.92 NOD2 (0.36) NOD2ACVR1RIPK2HTR6EGFR
SCHEMBL24310021 0.92 NOD2 (0.36) NOD2ACVR1RIPK2HTR6EGFR
SCHEMBL29567543 0.92 LCK (0.37) NOD2ACVR1RIPK2HTR6EGFR
SCHEMBL24310035 0.92 LCK (0.37) NOD2ACVR1RIPK2HTR6EGFR
SCHEMBL26811465 0.91 NOD2 (0.41) NOD2ACVR1RIPK2HTR6
SCHEMBL26811472 0.89 NOD2 (0.36) NOD2ACVR1RIPK2HTR6CDK4
SCHEMBL24310024 0.88 LCK (0.36) NOD2ACVR1RIPK2HTR6CCNB2
SCHEMBL29566496 0.88 NOD2 (0.36) NOD2ACVR1RIPK2HTR6CCNB2
SCHEMBL24310104 0.88 NOD2 (0.36) NOD2ACVR1RIPK2HTR6CCNB2

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 NOD2 724/4885ACVR1 1319/4885RIPK2 3698/4885

“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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