SCHEMBL17088102

SCHEMBL17088102

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.60
GABRB3 P28472 13/20 0.60
GABRA3 P34903 13/20 0.60
GABRA1 P14867 7/20 0.60
GABRA2 P47869 7/20 0.60
GABRA5 P31644 6/20 0.60
GABRA6 Q16445 2/20 0.60
GABRA4 P48169 1/20 0.60
GABRB2 P47870 2/20 0.52

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
SCHEMBL17088093 0.88 GABRA3 (0.64) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL17088100 0.85 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL13966572 0.85 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL17088096 0.83 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL14217645 0.82 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL17088101 0.81 GABRG2 (0.66) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL17088095 0.81 GABRG2 (0.61) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL13966584 0.81 GABRG2 (0.59) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL4990394 0.78 GABRG2 (0.73) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL10045479 0.78 GABRG2 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597342-B2 GABAergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2017-03-21 US disclosed
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2015-09-17 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 (1 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-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES GABRA3, GABRA2, GABRB3 GABRG2 10/4885GABRB3 3/4885GABRA3 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.