552-02 Free Base

552-02 Free Base

SCHEMBL15092803

CS(=O)(=O)O.N=C(NCCCCc1ccc(OCC(O)CO)cc1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of 552-02 Free Base. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 18/20 0.67
KCNH2 Q12809 1/20 0.43

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
552-02 Free Base SCHEMBL29615808 1.00 SCNN1A (0.67) SCNN1AKCNH2
552-02 Free Base SCHEMBL9913757 0.97 SCNN1A (0.71) SCNN1A
552-02 Free Base SCHEMBL2015162 0.97 SCNN1A (0.71) SCNN1A
552-02 Free Base SCHEMBL9913774 0.97 SCNN1A (0.71) SCNN1A
552-02 Free Base SCHEMBL19348088 0.96 SCNN1A (0.70) SCNN1A
SCHEMBL916347 0.94 SCNN1A (0.67) SCNN1A
SCHEMBL14268270 0.91 SCNN1A (0.60) SCNN1AKCNH2
SCHEMBL10028716 0.91 SCNN1A (0.60) SCNN1AKCNH2
SCHEMBL14268271 0.91 SCNN1A (0.60) SCNN1AKCNH2
SCHEMBL10110701 0.90 SCNN1A (0.62) SCNN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250332151-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMA (US) 2025-10-30 US claimed
CN-119947720-A Methods of treating cystic fibrosis 弗特克斯药品有限公司 2025-05-06 CN claimed
EP-4525858-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2025-03-26 EP claimed
WO-2023224931-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-23 WO claimed
EP-4247817-A1 MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-09-27 EP claimed
CN-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN claimed
US-20230099745-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2023-03-30 US claimed
WO-2022109573-A1 MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-27 WO claimed
US-12637414-B2 Arylamides and methods of use thereof GENZYME CORPORATION (US) 2026-05-26 US disclosed
EP-2819670-B1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATION THEREOF VERTEX PHARMA (US) 2026-05-20 EP disclosed
US-12630498-B2 Arylamides and methods of use thereof GENZYME CORPORATION (US) 2026-05-19 US disclosed
US-12630521-B2 Arylamides and methods of use thereof GENZYME CORPORATION (US) 2026-05-19 US disclosed
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 US disclosed
US-12583824-B2 6-membered heteroarylaminosulfonamides for treating diseases and conditions mediated by deficient CFTR activity GENZYME CORPORATION (US) 2026-03-24 US disclosed
US-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2014-06-19 US disclosed
US-20140107133-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL)CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE PARION SCIENCES, INC. (US) 2014-04-17 US disclosed
US-8669262-B2 3,5-diamino-6-chloro-N-(N-(4-(4-(2-(hexyl(2,3,4,5,6-pentahydroxyhexyl)amino)ethoxy)phenyl)butyl)carbamimidoyl)pyrazine-2-carboxamide PARION SCIENCES, INC. (US) 2014-03-11 US disclosed
WO-2013181232-A2 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES JOHNSON MICHAEL ROSS (US) 2013-12-05 WO disclosed
US-20130324559-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20130178482-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL) CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE PARION SCIENCES, INC. (US) 2013-07-11 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 (11 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-12637414-B2 Arylamides and methods of use thereof CFTR, CLIC1, ABCC1 SCNN1A 16/4885KCNH2 60/4885
US-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A SCNN1A 4/4885KCNH2 18/4885
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 SCNN1A 86/4885KCNH2 234/4885
US-20140107133-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL)CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE CFTR, ELANE, IL5 SCNN1A 314/4885KCNH2 901/4885
US-12583824-B2 6-membered heteroarylaminosulfonamides for treating diseases and conditions mediated by deficient CFTR activity CFTR, CLIC1, NHERF1 SCNN1A 18/4885KCNH2 134/4885
US-20250332151-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS CFTR, SLC26A4, SLC26A3 SCNN1A 12/4885KCNH2 482/4885
US-12630521-B2 Arylamides and methods of use thereof CFTR, CLIC1, CLCN2 SCNN1A 12/4885KCNH2 67/4885
US-20130178482-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL) CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE CFTR, ELANE, IL5 SCNN1A 314/4885KCNH2 901/4885
US-12630498-B2 Arylamides and methods of use thereof CFTR, CLIC1, CLCN2 SCNN1A 14/4885KCNH2 48/4885
US-20130324559-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G SCNN1A 2/4885KCNH2 60/4885
US-20230099745-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SCNN1A 5/4885KCNH2 1054/4885

“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.