SCHEMBL403561

SCHEMBL403561

N#Cc1cccc(S(=O)(=O)N2CCc3[nH]c4ncc(Cl)cc4c3C2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
AKR1C3 P42330 3/20 0.41
AKR1C1 Q04828 2/20 0.41
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HTR6 P50406 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
AKR1C2 P52895 1/20 0.37
GPR6 P46095 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 1/20 0.36
GBA1 P04062 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36

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
SCHEMBL406672 0.90 MAPT (0.62) MAPTJAK2JAK1HTR6CCNT1
SCHEMBL10139897 0.88 MEN1 (0.46) MAPTAKR1C3AKR1C1HTR6AKR1C2
SCHEMBL13284248 0.86 MAPT (0.40) MAPTAKR1C3AKR1C1HTR6AKR1C2
SCHEMBL409117 0.83 MAPT (0.45) MAPTAKR1C3HTR6CYP11B1
SCHEMBL409007 0.83 MAPT (0.48) MAPTHTR6
SCHEMBL408384 0.79 KDM4E (0.39) MAPTHTR6
SCHEMBL408994 0.78 CLPP (0.53) HTR6
SCHEMBL409053 0.78 PKM (0.47) MAPTHTR6
SCHEMBL10139845 0.78 CFTR (0.47) MAPT
Hydrochloric Acid SCHEMBL407051 0.77 CFTR (0.49) MAPT

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 13 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

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 MAPT 2520/4885JAK2 70/4885JAK1 202/4885

“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.