SCHEMBL26810498

SCHEMBL26810498

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccc(N4CCNCC4)cc3)cc(C3(C)CCCCC3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.35
▸ RIPK2 O43353 3/20 0.34
▸ ACVR1 Q04771 3/20 0.34
▸ NOD2 Q9HC29 3/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GUSB P08236 3/20 0.33
▸ LTA4H P09960 4/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ MAPK10 P53779 2/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ PLA2G7 Q13093 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL24310472 0.85 HTR1A (0.38) HTR6
SCHEMBL26807778 0.85 HTR3E (0.46) HTR6RIPK2ACVR1NOD2GUSB
SCHEMBL29567157 0.85 LTA4H (0.41) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL26807780 0.85 LTA4H (0.47) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL24309513 0.85 LTA4H (0.41) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL26807599 0.84 FLT3 (0.34) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL26807760 0.84 LTA4H (0.48) HTR6RIPK2ACVR1NOD2GUSB
SCHEMBL26810553 0.84 HTR6 (0.36) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL24309695 0.82 CDK4 (0.38) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL29566941 0.82 CDK4 (0.38) HTR6RIPK2ACVR1NOD2FLT3

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 HTR6 2653/4885RIPK2 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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