SCHEMBL12820342

SCHEMBL12820342

CCN1CCc2c(n(CC(CC(=O)CN)c3ccnc(C)c3)c3ccc(C)cc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.46
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL13306333 0.94 BCHE (0.46) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10315928 0.94 GRIN2B (0.53) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12820254 0.91 BCHE (0.47) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12820244 0.90 BCHE (0.46) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14729219 0.89 BCHE (0.46) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13293831 0.85 BCHE (0.48) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13293823 0.85 BCHE (0.46) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL166738 0.84 GRIN2B (0.55) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL169669 0.84 GRIN2B (0.53) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13293851 0.83 BCHE (0.46) BCHEGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-05-30 US disclosed
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-16 US disclosed
WO-2011038162-A1 PYRIDO(3,4-B)INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 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-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 BCHE 212/4885GRIN2D 33/4885GRIN3B 37/4885
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C BCHE 222/4885GRIN2D 35/4885GRIN3B 38/4885

“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.