SCHEMBL652512

SCHEMBL652512

COc1cncc(N2C[C@H]3CNC[C@H]32)c1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.73

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 known ✓ P17787 19/20 0.73
CHRNA4 known ✓ P43681 19/20 0.73
CHRNB4 P30926 16/20 0.73
CHRNA3 P32297 16/20 0.73

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
SCHEMBL652296 0.86 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL653386 0.86 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL654608 0.84 CHRNB2 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652402 0.82 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL651168 0.80 CHRNB2 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5041394 0.79 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652199 0.76 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1505117 0.76 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL650879 0.76 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL649379 0.76 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260027113-A1 PHTHALAZINONE BASED MODULATORS FOR THE TREATMENT OF DISEASE SOLEY THERAPEUTICS INC (US) 2026-01-29 US disclosed
US-12465603-B2 Phthalazinone based modulators for the treatment of disease SOLEY THERAPEUTICS, INC. (US) 2025-11-11 US disclosed
EP-4619387-A1 PHTHALAZINONE BASED MODULATORS FOR THE TREATMENT OF DISEASE Soley Therapeutics, Inc. (US) 2025-09-24 EP disclosed
US-20250042881-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-02-06 US disclosed
US-20240374589-A1 PHTHALAZINONE BASED MODULATORS FOR THE TREATMENT OF DISEASE SOLEY THERAPEUTICS, INC. 2024-11-14 US disclosed
EP-4423082-A1 CCR6 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-09-04 EP disclosed
CN-118215662-A Modulators of CCR6 receptors 爱杜西亚药品有限公司 2024-06-18 CN disclosed
WO-2024108131-A1 PHTHALAZINONE BASED MODULATORS FOR THE TREATMENT OF DISEASE SOLEY THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed
CN-114181139-B Synthesis method of 5-halogenated nicotinic acid 四川仁安药业有限责任公司 2023-12-08 CN disclosed
WO-2023072924-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed
CN-1440410-A Diazabicyclic central nervous system active agents ABBOTT LAB (US) 2003-09-03 CN disclosed
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed
CN-1043760-C \"Pyridinecarboximidamide compounds and the use thereof\ KIRN BEER KABUSHIKI KAISHA (JP) 1999-06-23 CN disclosed
CN-1077949-A Pyridine carboxy imido acid amide compound and application thereof KIRIN BREWERY (JP) 1993-11-03 CN 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 (6 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-12465603-B2 Phthalazinone based modulators for the treatment of disease MKI67, BCL2, CCAR2 CHRNB2 3519/4885CHRNA4 4662/4885CHRNB4 4361/4885
US-20260027113-A1 PHTHALAZINONE BASED MODULATORS FOR THE TREATMENT OF DISEASE NCOR1, NOP56, NCOR2 CHRNB2 2558/4885CHRNA4 3755/4885CHRNB4 3408/4885
US-20250042881-A1 CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR4 CHRNB2 1397/4885CHRNA4 1010/4885CHRNB4 1504/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CHRNB2 89/4885CHRNA4 28/4885CHRNB4 112/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885CHRNB4 15/4885
US-20240374589-A1 PHTHALAZINONE BASED MODULATORS FOR THE TREATMENT OF DISEASE MKI67, HDAC6, BCL2 CHRNB2 3964/4885CHRNA4 4437/4885CHRNB4 4104/4885

“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.