SCHEMBL8564100

SCHEMBL8564100

Cc1coc(-c2c(-c3ccccc3)cnnc2-c2cccnc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
AHR P35869 1/20 0.38
TP53 P04637 2/20 0.37
ADORA1 P30542 2/20 0.37
CYP2A6 P11509 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 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
SCHEMBL6123050 0.91 GABRA1 (0.42) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL8583296 0.83 ALDH1A1 (0.48) NPY5RALDH1A1TSHRMAPTPOLB
SCHEMBL15248076 0.83 GABRA1 (0.40) NPY5RALDH1A1TSHRMAPTPOLB
SCHEMBL8564692 0.81 PTGS1 (0.43) TSHRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8536061 0.81 GABRA1 (0.51) ALDH1A1SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL8533901 0.80 ADORA2A (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL8233681 0.76 NPC1 (0.50) ALDH1A1TSHRPOLBKDM4ESMN1; SMN2
SCHEMBL6122151 0.76 GABRA1 (0.40) ALDH1A1POLBGABRA1GABRG2GABRB3
SCHEMBL6122430 0.75 GABRA1 (0.39) ALDH1A1TSHRPOLBKDM4ESMN1; SMN2
SCHEMBL6121774 0.75 GABRA1 (0.39) ALDH1A1MAPTGABRA1GABRG2GABRB3

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 NPY5R 46/4885ALDH1A1 2259/4885TSHR 582/4885
US-20160008357-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GRIK5, CHRNA5 NPY5R 46/4885ALDH1A1 2259/4885TSHR 582/4885

“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.