SCHEMBL8534181

SCHEMBL8534181

COC(=O)c1coc(-c2c(-c3ccccc3)cnnc2-c2cccc(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA1 P14867 1/20 0.49
KDR P35968 1/20 0.40
CNR2 P34972 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ADORA1 P30542 3/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
PLA2G2A P14555 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DAGLA Q9Y4D2 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL6122545 0.91 GABRG2 (0.58) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL6122412 0.89 GABRA1 (0.49) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL8536061 0.84 GABRA1 (0.51) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL8564692 0.81 PTGS1 (0.43) KDRMAPTADORA1ADORA2A
SCHEMBL1544536 0.80 HDAC1 (0.50) HDAC1HDAC8HDAC6ADRB2ADRB1
SCHEMBL15248891 0.80 DGAT2 (0.44) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL17122197 0.80 PDE4B (0.46) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL15239355 0.79 GABRA1 (0.46) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL6122493 0.74 GABRA1 (0.40) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL17851269 0.74 GABRA5 (0.48) GABRA5GABRG2GABRB3GABRA3GABRA1

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 13 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
EP-3034079-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT Agenebio, Inc. (US) 2016-06-22 EP 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
EP-2640391-B1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO INC (US) 2015-11-11 EP 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
WO-2014078377-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA AGENEBIO, INC. (US) 2014-05-22 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 GABRA5 4/4885GABRG2 52/4885GABRB3 62/4885
US-20160008357-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GRIK5, CHRNA5 GABRA5 4/4885GABRG2 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.