SCHEMBL406824

SCHEMBL406824

Clc1cnc2[nH]c3c(c2c1)CN(CCN1CCOCC1)CC3

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
IDE P14735 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ACHE P22303 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
EIF2AK2 P19525 1/20 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
SCHEMBL406674 0.97 KDM4E (0.43) KDM4EPOLBALDH1A1LMNAMAPT
SCHEMBL407032 0.84 ACHE (0.46) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL10139987 0.81 ACHE (0.40) ALDH1A1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL408749 0.81 MAP2 (0.40) POLBACHEGRIN1GRIN2AGRIN2D
Hydrochloric Acid SCHEMBL409118 0.80 ACHE (0.39) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12480316 0.79 CHRNA7 (0.50) KDM4EPOLBALDH1A1
SCHEMBL24101581 0.75 KDM4E (0.38) KDM4E
SCHEMBL30340105 0.75 KDM4E (0.38) KDM4E
SCHEMBL408088 0.75 BAZ2B (0.52) LMNAMAPT
SCHEMBL408994 0.73 CLPP (0.53) ACHEGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US claimed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US claimed
EP-2367822-A1 TRICYCLIC AZAINDOLES Merck Patent GmbH (DE) 2011-09-28 EP claimed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 WO claimed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 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-20120022060-A1 Tricyclic Azaindoles AZI2, DCK, PPP2CA KDM4E 1192/4885POLB 1455/4885ALDH1A1 4078/4885

“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.