SCHEMBL19922700

SCHEMBL19922700

C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(-c3ocnc3C)ncn1-2

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.71
GABRB3 P28472 12/20 0.71
GABRA3 P34903 12/20 0.71
GABRA1 P14867 7/20 0.59
GABRA2 P47869 7/20 0.59
GABRA5 P31644 6/20 0.59
GABRA6 Q16445 2/20 0.59
GABRA4 P48169 1/20 0.59
GABRB2 P47870 2/20 0.51

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
SCHEMBL18096690 0.89 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL19922802 0.88 GABRA3 (0.73) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL19922704 0.88 GABRA3 (0.73) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL19922824 0.86 GABRG2 (0.52) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL14217645 0.85 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL18105373 0.83 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL19929128 0.83 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL8360445 0.82 GABRG2 (0.80) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL19922995 0.78 GABRA3 (0.59) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7721717 0.78 GABRG2 (0.64) 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 6 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-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 GABRG2 11/4885GABRB3 2/4885GABRA3 1/4885
US-20200316087-A1 NOVEL COMBINATION THERAPY FOR ANXIETY DISORDERS, EPILEPSY, AND PAIN GABRB2, GABRB1, GABRB3 GABRG2 11/4885GABRB3 3/4885GABRA3 7/4885
US-20190300534-A1 GABAERGIC LIGANDS AND THEIR USES GABRA3, GABRB3, GABRA2 GABRG2 11/4885GABRB3 2/4885GABRA3 1/4885
US-20180065967-A1 GABAERGIC LIGANDS AND THEIR USES GABRA3, GABRB3, GABRA2 GABRG2 11/4885GABRB3 2/4885GABRA3 1/4885

“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.