SCHEMBL1551553

SCHEMBL1551553

CCCCc1cnc2ccc(N)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
NOS2 P35228 1/20 0.41
TLR7 Q9NYK1 3/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
USP2 O75604 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BLM P54132 2/20 0.39
NPC1 O15118 2/20 0.39
RGS12 O14924 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 1/20 0.38
MAPT P10636 4/20 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
SCHEMBL14960278 0.95 MEN1 (0.42) PDE10ANOS2TLR7KMT2AMEN1
SCHEMBL1550581 0.94 MEN1 (0.44) PDE10ANOS2TLR7KMT2AMEN1
SCHEMBL27832688 0.94 TLR9 (0.45) PDE10ANOS2TLR7KMT2AMEN1
SCHEMBL28580708 0.90 PDE10A (0.46) PDE10ANOS2TLR7KMT2AMEN1
SCHEMBL28603226 0.84 TLR9 (0.47) PDE10ANOS2TLR7KMT2AMEN1
SCHEMBL18083005 0.83 TLR7 (0.46) PDE10ANOS2TLR7KMT2ARAB9A
SCHEMBL7068584 0.78 PDE10A (0.71) PDE10AKMT2AMEN1RAB9AALDH1A1
SCHEMBL28594904 0.78 PDE10A (0.50) PDE10ATLR7RAB9AALDH1A1SMN1; SMN2
SCHEMBL9936785 0.78 KDM4E (0.51) NOS2TLR7KMT2AMEN1POLB
SCHEMBL18082996 0.77 KCNH2 (0.45) PDE10ANOS2TLR7KMT2AMEN1

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-2691377-B1 AMINOQUINOXALINE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENT (C N R S ) (FR) 2018-03-07 EP disclosed
US-9434701-B2 Aminoquinoxaline derivatives for treatment of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-09-06 US disclosed
US-9434701-B2 Aminoquinoxaline derivatives for treatment of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-09-06 US disclosed
US-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
US-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
WO-2012131080-A1 AMINOQUINOXALINE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-10-04 WO disclosed
US-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) 2011-05-19 US disclosed
US-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) 2011-05-19 US disclosed
EP-2313373-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-04-27 EP disclosed
WO-2010007179-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-01-21 WO disclosed
WO-2010007179-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-01-21 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 (1 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-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HCRTR2, HCRTR1, CHRNA2 PDE10A 2019/4885NOS2 1281/4885TLR7 2044/4885

“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.