SCHEMBL26811465

SCHEMBL26811465

CCc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1c(C)cc(OC)cc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 11/20 0.41
▸ ACVR1 Q04771 11/20 0.41
▸ RIPK2 O43353 10/20 0.41
▸ HTR6 P50406 1/20 0.35
▸ GUSB P08236 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ TGFBR1 P36897 2/20 0.34
▸ DCTPP1 Q9H773 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
SCHEMBL24310021 0.94 NOD2 (0.36) NOD2ACVR1RIPK2HTR6GUSB
SCHEMBL29566401 0.94 NOD2 (0.36) NOD2ACVR1RIPK2HTR6GUSB
SCHEMBL26811442 0.92 NOD2 (0.40) NOD2ACVR1RIPK2HTR6GUSB
SCHEMBL29567543 0.92 LCK (0.37) NOD2ACVR1RIPK2HTR6GUSB
SCHEMBL24310035 0.92 LCK (0.37) NOD2ACVR1RIPK2HTR6GUSB
SCHEMBL26811472 0.92 NOD2 (0.36) NOD2ACVR1RIPK2HTR6TGFBR1
SCHEMBL29567256 0.91 NOD2 (0.36) NOD2ACVR1RIPK2HTR6
SCHEMBL24309496 0.91 NOD2 (0.36) NOD2ACVR1RIPK2HTR6
SCHEMBL24310104 0.87 NOD2 (0.36) NOD2ACVR1RIPK2HTR6GUSB
SCHEMBL29566496 0.87 NOD2 (0.36) NOD2ACVR1RIPK2HTR6GUSB

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 724/4885ACVR1 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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