SCHEMBL29566801

SCHEMBL29566801

COc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 9/20 0.39
▸ RIPK2 O43353 8/20 0.39
▸ ACVR1 Q04771 7/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ IGF1R P08069 2/20 0.37
▸ GUSB P08236 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ ALOX12 P18054 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
SCHEMBL24309903 1.00 NOD2 (0.39) NOD2RIPK2ACVR1HTR6IGF1R
SCHEMBL29567259 0.92 HTR6 (0.39) NOD2RIPK2ACVR1HTR6IGF1R
SCHEMBL26808704 0.92 RAD52 (0.39) IGF1REGFRJAK3TNK2MAPT
SCHEMBL24309725 0.92 HTR6 (0.39) NOD2RIPK2ACVR1HTR6IGF1R
SCHEMBL29567089 0.90 HTR6 (0.37) NOD2RIPK2ACVR1HTR6IGF1R
SCHEMBL24310067 0.90 HTR6 (0.37) NOD2RIPK2ACVR1HTR6IGF1R
SCHEMBL24309384 0.88 HTR1A (0.39) EGFRSMN1; SMN2
SCHEMBL29566871 0.88 HTR1A (0.39) EGFRSMN1; SMN2
SCHEMBL26808712 0.85 HTR7 (0.41) HTR6IGF1RGUSBEGFRJAK3
SCHEMBL24310024 0.84 LCK (0.36) NOD2RIPK2ACVR1HTR6GUSB

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
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 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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