SCHEMBL1992738

SCHEMBL1992738

O=S(=O)(Oc1ccc2ccnn2c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 2/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ DRD2 P14416 6/20 0.35
▸ DRD4 P21917 6/20 0.35
▸ DRD3 P35462 6/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ CXCR2 P25025 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ CXCR1 P25024 1/20 0.33
▸ DRD5 P21918 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ HTR1D P28221 2/20 0.32
▸ HTR1B P28222 2/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ ADORA2A P29274 1/20 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
SCHEMBL15231070 0.77 SCN5A (0.49) SCN5ACA1CA2DRD2DRD4
SCHEMBL28422124 0.74 CA1 (0.35) CA1CA2DRD2DRD4DRD3
SCHEMBL576035 0.71 CA2 (0.50) CA1CA2DRD2DRD4DRD3
SCHEMBL18338474 0.71 DRD2 (0.45) SCN5ACA1CA2DRD2DRD4
SCHEMBL30977412 0.70 RXRA (0.36) SCN5ADRD2DRD4DRD3DRD1
SCHEMBL27037342 0.69 CA1 (0.34) CA1CA2DRD2DRD4DRD3
SCHEMBL25363072 0.68 RAB9A (0.34) DRD2DRD4DRD3PDE4APDE4C
SCHEMBL20412783 0.68 JAK2 (0.31) CA1CA2PDE4APDE4CPDE4D
SCHEMBL31604507 0.68 CXCR2 (0.41) CA1CA2DRD2DRD4DRD3
SCHEMBL3228819 0.68 AXL (0.39) DRD2DRD4DRD3DRD1DRD5

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583855-B2 RET selective inhibitor, preparation method therefor and use thereof Shouyao Holdings (beijing) Co., Ltd. (CN) 2026-03-24 — — US disclosed
CN-114907338-B Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-06 — — CN disclosed
CN-115894482-A RET inhibitor and preparation method and application thereof 深圳长铭医药有限公司 2023-04-04 — — CN disclosed
US-20220289740-A1 RET SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-09-15 — — US disclosed
EP-2513102-B1 ETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-19 — — EP disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 — — US disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 — — US disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 — — US disclosed
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER HOFFMANN-LA ROCHE INC. (US) 2014-03-13 — — US disclosed
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER HOFFMANN-LA ROCHE INC. (US) 2014-03-13 — — US disclosed
EP-2565185-A1 [5,6]HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-06 — — EP disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 — — US disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 — — US disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 — — US disclosed
EP-2513102-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 — — EP disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 — — US disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 — — US disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 — — US disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — WO disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — 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 (5 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-12583855-B2 RET selective inhibitor, preparation method therefor and use thereof RET, ROR1, TMPRSS11D SCN5A 1470/4885CA1 2671/4885CA2 1103/4885
US-20220289740-A1 RET SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF RET, REN, ROR1 SCN5A 2133/4885CA1 2126/4885CA2 1817/4885
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND BMP2, BMP4, SOST SCN5A 659/4885CA1 1250/4885CA2 167/4885
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS GRM5, GRIK5, GRM1 SCN5A 115/4885CA1 2357/4885CA2 1167/4885
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER GRM5, GRIK5, GRM1 SCN5A 125/4885CA1 2459/4885CA2 1197/4885

“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.

Send feedback