SCHEMBL406804

SCHEMBL406804

COc1ccc(OC)c(S(=O)(=O)N2CCc3[nH]c4ncc(Cl)cc4c3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
HMOX1 P09601 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL408089 0.93 HMOX1 (0.42) KMT2AHMOX1MAPTMEN1
SCHEMBL409053 0.87 PKM (0.47) KMT2AHMOX1ALDH1A1POLBRAB9A
SCHEMBL409117 0.84 MAPT (0.45) HMOX1MAPT
SCHEMBL408384 0.80 KDM4E (0.39) KDM4EMAPT
SCHEMBL409007 0.78 MAPT (0.48) KMT2AALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL10139897 0.76 MEN1 (0.46) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL13284248 0.76 MAPT (0.40) KMT2AHMOX1ALDH1A1MAPTMEN1
SCHEMBL2806833 0.74 KMT2A (0.49) KMT2AALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL10139856 0.74 CFTR (0.51) KMT2AMAPTMEN1NPC1
SCHEMBL406672 0.74 MAPT (0.62) KMT2AL3MBTL1MAPTTDP1

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 KMT2A 1887/4885HMOX1 3328/4885ALDH1A1 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.