SCHEMBL29469733

SCHEMBL29469733

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
SCHEMBL249109 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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163379-A1 METHOD FOR DIFFERENTIATING HEMATOPOIETIC STEM/PROGENITOR CELLS INTO NK CELLS HEMACELL BIOTECHNOLOGY INC. (CN) 2025-05-22 US claimed
US-12201631-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and fragile X syndrome PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2025-01-21 US claimed
US-20240390311-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS RELATING TO CORONAVIRUS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-28 US claimed
CN-118786209-A Method for differentiating hematopoietic stem/progenitor cells into NK cells 苏州血霁生物科技有限公司 2024-10-15 CN claimed
EP-4405049-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS RELATING TO CORONAVIRUS INFECTIONS The Regents of the University of California (US) 2024-07-31 EP claimed
US-20230381125-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-30 US claimed
EP-4217002-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS The Regents of the University of California (US) 2023-08-02 EP claimed
WO-2023101899-A1 COMPOSITIONS AND METHODS FOR AMELIORATING SJOGREN'S SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-08 WO claimed
WO-2023048781-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS RELATING TO CORONAVIRUS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-30 WO claimed
US-20230031479-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 US claimed
US-11547706-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and Fragile X syndrome PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 US claimed
US-20220117916-A1 Combination Products to Mitigate the Risk of Non-Benzodiazepine Benzodiazepine Agonist Adverse Reaction and Overdose SAFERX PHARMACEUTICALS LLC (US) 2022-04-21 US claimed
WO-2022067044-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-31 WO claimed
US-12637455-B2 Naphthyridine and pyrido[3,4-c]pyridazine derivatives as GABAA α5 receptor modulators RICHTER GEDEON NYRT. (HU) 2026-05-26 US disclosed
EP-4126858-B1 DIHYDRO-2-PYRROLO[3,4-C]PYRIDINE DERIVATIVES AS GABAA A5 RECEPTOR MODULATORS RICHTER GEDEON NYRT (HU) 2026-03-18 EP disclosed
US-12527791-B2 Compositions and methods for treatment of fragile x syndrome CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2026-01-20 US disclosed
EP-3698832-B1 METHODS AND DEVICES FOR SMOKING URGE RELIEF FONTEM HOLDINGS 1 BV (NL) 2022-07-13 EP disclosed
EP-4017874-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES Coda Biotherapeutics, Inc. (US) 2022-06-29 EP disclosed
US-20220117916-A1 Combination Products to Mitigate the Risk of Non-Benzodiazepine Benzodiazepine Agonist Adverse Reaction and Overdose SAFERX PHARMACEUTICALS LLC (US) 2022-04-21 US disclosed
WO-2022067044-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-31 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-11547706-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and Fragile X syndrome MECP2, GABBR1, GABBR2 GABRG2 12/4885GABRB3 6/4885GABRA3 15/4885
US-12201631-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and fragile X syndrome MECP2, GABBR1, GABBR2 GABRG2 12/4885GABRB3 6/4885GABRA3 15/4885
US-12637455-B2 Naphthyridine and pyrido[3,4-c]pyridazine derivatives as GABAA α5 receptor modulators GABRA5, GABRA1, GABRB1 GABRG2 15/4885GABRB3 6/4885GABRA3 5/4885
US-20230031479-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME MECP2, GABBR1, GABBR2 GABRG2 12/4885GABRB3 6/4885GABRA3 15/4885
US-12527791-B2 Compositions and methods for treatment of fragile x syndrome GABRE, GABBR1, CHRNA5 GABRG2 31/4885GABRB3 16/4885GABRA3 33/4885

“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.