SCHEMBL19922802

SCHEMBL19922802

C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(-c3ocnc3C)ncn1-2

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 16/20 0.73
GABRG2 P18507 11/20 0.73
GABRB3 P28472 11/20 0.73
GABRA1 P14867 10/20 0.54
GABRA2 P47869 8/20 0.54
GABRA5 P31644 9/20 0.53
GABRB2 P47870 2/20 0.53
GABRA4 P48169 1/20 0.47
GABRA6 Q16445 1/20 0.47

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
SCHEMBL19922995 0.90 GABRA3 (0.59) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL19922700 0.88 GABRG2 (0.71) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL19922696 0.86 GABRA3 (0.54) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL13061778 0.86 GABRA3 (0.70) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL19922704 0.86 GABRA3 (0.73) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL18105342 0.84 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL29712060 0.84 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL19929127 0.84 GABRA3 (0.78) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL29692345 0.83 GABRA3 (0.76) GABRA3GABRG2GABRB3GABRA1GABRA2
SCHEMBL13009537 0.83 GABRA3 (0.76) GABRA3GABRG2GABRB3GABRA1GABRA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200316087-A1 NOVEL COMBINATION THERAPY FOR ANXIETY DISORDERS, EPILEPSY, AND PAIN THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-10-08 US disclosed
US-20190300534-A1 GABAERGIC LIGANDS AND THEIR USES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-10-03 US disclosed
US-20190300534-A1 GABAERGIC LIGANDS AND THEIR USES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-10-03 US disclosed
US-10259815-B2 Gabaergic ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2019-04-16 US disclosed
US-10259815-B2 Gabaergic ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2019-04-16 US disclosed
US-20180065967-A1 GABAERGIC LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2018-03-08 US disclosed
US-20180065967-A1 GABAERGIC LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2018-03-08 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 (4 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-10259815-B2 Gabaergic ligands and their uses GABRA3, GABRB3, GABRA2 GABRA3 1/4885GABRG2 11/4885GABRB3 2/4885
US-20200316087-A1 NOVEL COMBINATION THERAPY FOR ANXIETY DISORDERS, EPILEPSY, AND PAIN GABRB2, GABRB1, GABRB3 GABRA3 7/4885GABRG2 11/4885GABRB3 3/4885
US-20190300534-A1 GABAERGIC LIGANDS AND THEIR USES GABRA3, GABRB3, GABRA2 GABRA3 1/4885GABRG2 11/4885GABRB3 2/4885
US-20180065967-A1 GABAERGIC LIGANDS AND THEIR USES GABRA3, GABRB3, GABRA2 GABRA3 1/4885GABRG2 11/4885GABRB3 2/4885

“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.