SCHEMBL247567

SCHEMBL247567

[2H]C([2H])([2H])n1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.88
GABRB3 P28472 20/20 0.88
GABRA3 P34903 20/20 0.88
GABRA1 P14867 9/20 0.88
GABRA2 P47869 6/20 0.88
GABRA5 P31644 3/20 0.88

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
SCHEMBL2759470 0.97 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL248220 0.96 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL249109 0.94 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL29469733 0.94 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL248296 0.93 GABRG2 (0.88) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL29528203 0.93 GABRG2 (0.88) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2759466 0.92 GABRG2 (0.90) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2759468 0.92 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2759467 0.89 GABRG2 (0.70) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL12391315 0.89 GABRG2 (0.70) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150111895-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES CONCERT PHARMACEUTICALS INC (US) 2015-04-23 US disclosed
US-8921366-B2 Substituted triazolo-pyridazine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-20130225590-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8399467-B2 Substituted triazolo-pyridazine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20120004236-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-01-05 US disclosed
US-8003646-B2 Substituted triazolo-pyridazine derivatives CONCERT PHARMACEUTICALS INC. (US) 2011-08-23 US disclosed
US-20100056529-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2010-03-04 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-20120004236-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES GABRA5, GABRA2, GABRA3 GABRG2 17/4885GABRB3 7/4885GABRA3 3/4885
US-20150111895-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES GABRA5, GABRA2, GABRA3 GABRG2 17/4885GABRB3 7/4885GABRA3 3/4885
US-20100056529-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES GABRA5, GABRA2, GABRA3 GABRG2 17/4885GABRB3 7/4885GABRA3 3/4885
US-20130225590-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES GABRA5, GABRA2, GABRA3 GABRG2 17/4885GABRB3 7/4885GABRA3 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.