SCHEMBL8564692

SCHEMBL8564692

Cc1coc(-c2c(-c3ccccc3)cnnc2-c2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ADORA1 P30542 8/20 0.41
ADORA2A P29274 4/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA2B P29275 1/20 0.37
KDM1A O60341 1/20 0.36
KDR P35968 1/20 0.36
DPP4 P27487 1/20 0.36
MAPT P10636 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
SCHEMBL6123050 0.89 GABRA1 (0.42) PTGS1PTGS2ADORA1ADORA2ANPC1
SCHEMBL8533901 0.84 ADORA2A (0.44) ADORA1ADORA2ANPC1TP53RAB9A
SCHEMBL8583293 0.84 MAPT (0.52) PTGS1PTGS2ADORA1ADORA2ANPC1
SCHEMBL8534181 0.81 GABRA5 (0.49) ADORA1ADORA2AKDRMAPT
SCHEMBL8564100 0.81 NPY5R (0.40) PTGS2ADORA1ADORA2ANPC1TP53
SCHEMBL30420570 0.76 TP53 (0.52) NPC1TP53RAB9ATSHRNFKB1
SCHEMBL5536966 0.76 TP53 (0.52) NPC1TP53RAB9ATSHRNFKB1
SCHEMBL6122151 0.74 GABRA1 (0.40) PTGS2
SCHEMBL6121774 0.73 GABRA1 (0.39) PTGS1PTGS2ADORA2ANOTUMMAPT
SCHEMBL6122430 0.73 GABRA1 (0.39) NPC1RAB9ATSHRSMN1; SMN2NOTUM

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 PTGS1 1425/4885PTGS2 1070/4885ADORA1 182/4885
US-20160008357-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GRIK5, CHRNA5 PTGS1 1425/4885PTGS2 1070/4885ADORA1 182/4885

“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.