SCHEMBL26807474

SCHEMBL26807474

Cc1cc(-c2cc(Oc3ccc(N4CCNCC4)cc3)nc(NS(=O)(=O)c3cnn(C)c3)n2)c(C)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 8/20 0.35
▸ ACVR1 Q04771 8/20 0.35
▸ NOD2 Q9HC29 8/20 0.35
▸ GUSB P08236 7/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CSF1R P07333 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
SCHEMBL26807316 0.87 RIPK2 (0.39) RIPK2ACVR1NOD2GUSBFLT3
SCHEMBL29566726 0.87 RIPK2 (0.39) RIPK2ACVR1NOD2GUSBFLT3
SCHEMBL26807463 0.86 ACVR1 (0.40) RIPK2ACVR1NOD2GUSBHTR6
SCHEMBL26807466 0.86 FLT3 (0.38) RIPK2ACVR1NOD2GUSBFLT3
SCHEMBL26807468 0.85 GUSB (0.42) RIPK2ACVR1NOD2GUSBFLT3
SCHEMBL24309512 0.85 FLT3 (0.36) RIPK2ACVR1NOD2GUSBFLT3
SCHEMBL24310583 0.85 RIPK2 (0.38) RIPK2ACVR1NOD2GUSBFLT3
SCHEMBL24309665 0.85 GUSB (0.39) RIPK2ACVR1NOD2GUSBFLT3
SCHEMBL29566865 0.85 GUSB (0.39) RIPK2ACVR1NOD2GUSBFLT3
SCHEMBL26807459 0.85 NOD2 (0.40) RIPK2ACVR1NOD2FLT3GAA

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

“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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