SCHEMBL29566600

SCHEMBL29566600

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(C3=CCOC(C)(C)C3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.37
▸ HTR7 P34969 6/20 0.37
▸ GPR39 O43194 1/20 0.36
▸ SLC8A1 P32418 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ DRD2 P14416 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL24309632 1.00 HTR1A (0.37) HTR1AHTR7GPR39SLC8A1TSHR
SCHEMBL24310299 0.85 HRH3 (0.36) IRAK4
SCHEMBL29566607 0.85 HRH3 (0.36) IRAK4
SCHEMBL24309790 0.82 GPR39 (0.36) GPR39
SCHEMBL24309685 0.82 MAPT (0.47) HTR1AHTR7GPR39TSHRSMN1; SMN2
SCHEMBL26807497 0.81 HTR1A (0.38) HTR1AHTR7GPR39SLC8A1TSHR
SCHEMBL29566535 0.81 TDP1 (0.37) HTR1AHTR7GPR39SLC8A1TSHR
SCHEMBL24309628 0.81 TDP1 (0.37) HTR1AHTR7GPR39SLC8A1TSHR
SCHEMBL29566709 0.80 HTR1A (0.35) HTR1AHTR7GPR39SLC8A1TSHR
SCHEMBL24309305 0.80 HTR1A (0.35) HTR1AHTR7GPR39SLC8A1TSHR

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 HTR1A 4018/4885HTR7 3833/4885GPR39 454/4885

“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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