SCHEMBL8533819

SCHEMBL8533819

CN(C)C(=O)c1c(-c2ccccc2)cnnc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
KCNA5 P22460 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.40
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TSHR P16473 2/20 0.39
KCNH2 Q12809 1/20 0.39
ATR Q13535 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL8534623 0.89 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8535314 0.85 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17244313 0.83 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8563805 0.80 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8535287 0.79 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8564914 0.78 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8533897 0.76 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8556478 0.75 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29618008 0.73 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2653989 0.73 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3

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-9801879-B2 Pyridazine derivatives, compositions and methods for treating cognitive impairment AGENEBIO, INC. (US) 2017-10-31 US disclosed
US-9801879-B2 Pyridazine derivatives, compositions and methods for treating cognitive impairment AGENEBIO, INC. (US) 2017-10-31 US disclosed
US-20160008357-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. 2016-01-14 US disclosed
US-20160008357-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. 2016-01-14 US disclosed
US-9145372-B2 Pyridazine derivatives, compositions and methods for treating cognitive impairment AGENEBIO, INC. (US) 2015-09-29 US disclosed
US-9145372-B2 Pyridazine derivatives, compositions and methods for treating cognitive impairment AGENEBIO, INC. (US) 2015-09-29 US disclosed
WO-2014153180-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION GALLAGHER MICHELA (US) 2014-09-25 WO disclosed
US-20130237545-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2013-09-12 US disclosed
US-20130237545-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2013-09-12 US disclosed
WO-2012068161-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2012-05-24 WO 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 (2 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-20130237545-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GRIK5, CHRNA5 GABRA1 39/4885GABRG2 52/4885GABRB3 62/4885
US-20160008357-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GRIK5, CHRNA5 GABRA1 39/4885GABRG2 52/4885GABRB3 62/4885

“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.