SCHEMBL249109

SCHEMBL249109

Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA3 P34903 20/20 1.00
GABRA1 P14867 9/20 1.00
GABRA2 P47869 6/20 1.00
GABRA5 P31644 3/20 1.00

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
SCHEMBL29469733 1.00 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2759466 0.95 GABRG2 (0.90) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL248296 0.94 GABRG2 (0.88) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL29528203 0.94 GABRG2 (0.88) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL247567 0.94 GABRG2 (0.88) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2759470 0.90 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL248220 0.90 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2654854 0.89 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL3410317 0.89 GABRG2 (0.79) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL16625048 0.88 GABRG2 (0.79) GABRG2GABRB3GABRA3GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220249483-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME CHILDREN'S HOSPITAL MEDICAL CENTER 2022-08-11 US claimed
US-10588905-B2 Compositions and methods for treatment of fragile X syndrome CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2020-03-17 US claimed
US-20190083493-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME CHILDREN'S HOSPITAL MEDICAL CENTER 2019-03-21 US claimed
US-20160199373-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME CHILDREN'S HOSPITAL MEDICAL CENTER 2016-07-14 US claimed
US-20150158870-A1 POLYMORPHS OF 7-(TERT-BUTYL-D9)-3-(2,5-DIFLUOROPHENYL)-6-((1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE CONCERT PHARMACEUTICALS INC. 2015-06-11 US claimed
US-20150119398-A1 FORM 2 POLYMORPH OF 7-(TERT-BUTYL-D9)-3-(2,5-DIFLUOROPHENYL)-6-((1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE CONCERT PHARMACEUTICALS INC. 2015-04-30 US claimed
US-20150099753-A1 FORM 5 POLYMORPH OF 7-(TERT-BUTYL-D9)-3-(2,5-DIFLUOROPHENYL)-6-((1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE CONCERT PHARMACEUTICALS INC. 2015-04-09 US claimed
EP-1149102-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2004-12-08 EP claimed
US-20030158203-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-08-21 US claimed
EP-1149102-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-10-31 EP claimed
WO-2000044752-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-08-03 WO claimed
US-20260115134-A1 NOVEL PHARMACEUTICAL FORMULATIONS AUSPEX PHARMACEUTICALS INC (US) 2026-04-30 US disclosed
US-20260115135-A1 NOVEL PHARMACEUTICAL FORMULATIONS AUSPEX PHARMACEUTICALS INC (US) 2026-04-30 US disclosed
US-12433898-B2 Use of GABAA receptor modulators for treatment of itch UNIVERSITAT ZURICH (CH) 2025-10-07 US disclosed
US-20250268912-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH UNIVERSITAT ZURICH (CH) 2025-08-28 US disclosed
EP-1149102-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2004-12-08 EP disclosed
US-20030158203-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-08-21 US disclosed
US-6500828-B1 TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2002-12-31 US disclosed
EP-1149102-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-10-31 EP disclosed
WO-2000044752-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-08-03 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 (12 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-20160199373-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME GABBR1, GABBR2, GABRE GABRG2 12/4885GABRB3 4/4885GABRA3 5/4885
US-20150158870-A1 POLYMORPHS OF 7-(TERT-BUTYL-D9)-3-(2,5-DIFLUOROPHENYL)-6-((1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE TAF9, TERT, TFDP2 GABRG2 4439/4885GABRB3 4526/4885GABRA3 4468/4885
US-10588905-B2 Compositions and methods for treatment of fragile X syndrome GABBR1, GABBR2, GABRE GABRG2 12/4885GABRB3 4/4885GABRA3 5/4885
US-20150119398-A1 FORM 2 POLYMORPH OF 7-(TERT-BUTYL-D9)-3-(2,5-DIFLUOROPHENYL)-6-((1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE TTI2, TTR, RIF1 GABRG2 3433/4885GABRB3 3083/4885GABRA3 3122/4885
US-20220249483-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME GABBR1, GABBR2, GABRE GABRG2 12/4885GABRB3 4/4885GABRA3 5/4885
US-20260115134-A1 NOVEL PHARMACEUTICAL FORMULATIONS HTR1D, HTR5A, PCNP GABRG2 3641/4885GABRB3 1766/4885GABRA3 2464/4885
US-20150099753-A1 FORM 5 POLYMORPH OF 7-(TERT-BUTYL-D9)-3-(2,5-DIFLUOROPHENYL)-6-((1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE RIF1, TTR, TERT GABRG2 4165/4885GABRB3 4156/4885GABRA3 4200/4885
US-20250268912-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH GABRB2, GABRB3, GABRB1 GABRG2 8/4885GABRB3 2/4885GABRA3 9/4885
US-20260115135-A1 NOVEL PHARMACEUTICAL FORMULATIONS FLNB, SETD1B, HTR5A GABRG2 2547/4885GABRB3 701/4885GABRA3 1624/4885
US-20190083493-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FRAGILE X SYNDROME GABBR1, GABBR2, GABRE GABRG2 12/4885GABRB3 4/4885GABRA3 5/4885
US-20030158203-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors GABBR1, GABRA3, GABRA5 GABRG2 15/4885GABRB3 8/4885GABRA3 2/4885
US-12433898-B2 Use of GABAA receptor modulators for treatment of itch GABRB2, GABRB3, GABRB1 GABRG2 8/4885GABRB3 2/4885GABRA3 9/4885

“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.