SCHEMBL8534161

SCHEMBL8534161

Cn1cc(-c2nncc(-c3ccccc3)c2C(=O)O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GRM2 Q14416 1/20 0.42
AXL P30530 2/20 0.41
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
BRD4 O60885 1/20 0.41
METAP2 P50579 1/20 0.41
CHEK1 O14757 2/20 0.40
MAP4K4 O95819 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
LCK P06239 1/20 0.39
BTK Q06187 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
KDR P35968 2/20 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
SCHEMBL8535287 0.88 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2653989 0.83 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29618008 0.83 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8535314 0.75 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8581797 0.73 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8534526 0.73 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8586468 0.71 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8534202 0.71 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29899479 0.71 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8534623 0.71 GABRA1 (0.65) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.