SCHEMBL249110

SCHEMBL249110

CC(Oc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C)c1ncn[nH]1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.58
GABRB3 P28472 5/20 0.58
GABRA3 P34903 5/20 0.58
GABRA1 P14867 3/20 0.58
GABRA5 P31644 2/20 0.58
GABRA2 P47869 2/20 0.58
MAPK14 Q16539 3/20 0.33
ALK Q9UM73 1/20 0.31
F2RL1 P55085 1/20 0.30

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
SCHEMBL6522799 0.79 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2654854 0.74 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL29469733 0.73 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL249109 0.73 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL341480 0.73 GABRG2 (0.54) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL248720 0.72 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL5766441 0.72 GABRG2 (0.66) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL247567 0.71 GABRG2 (0.88) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2759468 0.71 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2653692 0.70 GABRA1 (0.40) GABRG2GABRB3GABRA3GABRA1GABRA5

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 10 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
EP-2328414-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES CONCERT PHARMACEUTICALS INC (US) 2013-12-11 EP 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
EP-2328414-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES Concert Pharmaceuticals Inc. (US) 2011-06-08 EP disclosed
WO-2010025407-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2010-03-04 WO 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.