SCHEMBL2604944

SCHEMBL2604944

Cn1c(/C=C/c2ccc(/C=C/c3cc4ccccc4n3C)cc2)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
ALB P02768 1/20 0.48
KMT2A Q03164 3/20 0.46
MAOB P27338 4/20 0.45
ADORA2A P29274 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
DAO P14920 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL2604894 0.95 MAOB (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2604869 0.89 MAPT (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6636740 0.88 ALB (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6636737 0.88 ALB (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27786799 0.83 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24703487 0.79 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21803732 0.79 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5640746 0.79 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6995099 0.78 ADORA2A (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6995096 0.78 ADORA2A (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 GRIN2D 3164/4885GRIN3B 2688/4885GRIN1 2768/4885

“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.