SCHEMBL2604869

SCHEMBL2604869

Cn1c(/C=C/c2ccncc2)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALB P02768 1/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL2604944 0.89 GRIN2D (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2604894 0.87 MAOB (0.51) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL714464 0.78 FGFR1 (0.51) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL714463 0.78 FGFR1 (0.51) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6636740 0.78 ALB (0.61) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6636737 0.78 ALB (0.61) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27786799 0.76 GRIN2D (0.50) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24703487 0.72 GRIN2D (0.47) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21803732 0.72 GRIN2D (0.47) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5640746 0.72 GRIN2D (0.53) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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 MAPT 4/4885GRIN2D 3164/4885GRIN3B 2688/4885

“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.