SCHEMBL26807459

SCHEMBL26807459

CCOc1ccc(-c2cc(Oc3ccc(N4CCNCC4)cc3)nc(NS(=O)(=O)c3cnn(C)c3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 15/20 0.40
▸ RIPK2 O43353 13/20 0.40
▸ ACVR1 Q04771 13/20 0.40
▸ FLT3 P36888 1/20 0.36
▸ LCK P06239 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35

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
SCHEMBL26807463 0.92 ACVR1 (0.40) NOD2RIPK2ACVR1TGFBR1
SCHEMBL29566726 0.89 RIPK2 (0.39) NOD2RIPK2ACVR1FLT3KMT2A
SCHEMBL26807316 0.89 RIPK2 (0.39) NOD2RIPK2ACVR1FLT3KMT2A
SCHEMBL26807466 0.88 FLT3 (0.38) NOD2RIPK2ACVR1FLT3LCK
SCHEMBL26807471 0.85 ACVR1 (0.40) NOD2RIPK2ACVR1FLT3TGFBR1
SCHEMBL24310583 0.85 RIPK2 (0.38) NOD2RIPK2ACVR1FLT3LCK
SCHEMBL24309512 0.85 FLT3 (0.36) NOD2RIPK2ACVR1FLT3
SCHEMBL24309665 0.85 GUSB (0.39) NOD2RIPK2ACVR1FLT3
SCHEMBL29566865 0.85 GUSB (0.39) NOD2RIPK2ACVR1FLT3
SCHEMBL26807474 0.85 RIPK2 (0.35) NOD2RIPK2ACVR1FLT3JAK3

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 2 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

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 724/4885RIPK2 3698/4885ACVR1 1319/4885

“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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