SCHEMBL8533897

SCHEMBL8533897

CN(C)C(=O)c1c(-c2ccccc2)cnnc1-c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK14 Q16539 7/20 0.40
ADORA1 P30542 2/20 0.40
DHODH Q02127 2/20 0.40
ADORA2A P29274 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 3/20 0.37
PTGS2 P35354 2/20 0.37
MAPT P10636 2/20 0.37
FABP2 P12104 1/20 0.37
TSHR P16473 1/20 0.37
AKR1C4 P17516 1/20 0.37

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
SCHEMBL8566112 0.87 GABRG2 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8534623 0.82 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8563805 0.76 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8533819 0.76 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8564914 0.74 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8535287 0.73 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18224106 0.72 DHODH (0.49) DHODHDHFRALKBH5
SCHEMBL8556478 0.69 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22259507 0.69 ERN1 (0.50) KCNH2MAPK14MEN1KMT2ASMN1; SMN2
SCHEMBL412228 0.67 MEN1 (0.49) ADORA1ADORA2AMEN1KMT2APTGS1

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 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.