SCHEMBL13061809

SCHEMBL13061809

C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)N(C)C)ncn1-2

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 17/20 0.81
GABRG2 P18507 15/20 0.81
GABRB3 P28472 15/20 0.81
GABRA2 P47869 9/20 0.79
GABRA1 P14867 9/20 0.75
GABRA5 P31644 9/20 0.75
GABRA6 Q16445 4/20 0.59
GABRA4 P48169 3/20 0.59
GABRB2 P47870 3/20 0.54

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
SCHEMBL13061667 0.90 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL29691961 0.89 GABRA3 (0.84) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL19368515 0.89 GABRA3 (0.84) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL13061810 0.88 GABRA3 (0.80) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL13835722 0.88 GABRA3 (0.81) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL8363087 0.88 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL16638525 0.88 GABRG2 (0.74) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL13061808 0.86 GABRA3 (0.82) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL29712107 0.86 GABRG2 (1.00) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL639547 0.86 GABRG2 (1.00) GABRA3GABRG2GABRB3GABRA2GABRA1

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 11 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-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
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. (US) 2012-11-22 US disclosed
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. (US) 2012-11-22 US disclosed
US-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 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 (3 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-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 GABRA3 8/4885GABRG2 25/4885GABRB3 7/4885
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES GABRA3, GABRA2, GABRB3 GABRA3 1/4885GABRG2 10/4885GABRB3 3/4885
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES GABRA3, GABRA2, GABRB3 GABRA3 1/4885GABRG2 10/4885GABRB3 3/4885

“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.