SCHEMBL2280221

SCHEMBL2280221

CC1CCN(Cc2ccccc2)CC1Nc1c([N+](=O)[O-])cnc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
JAK1 P23458 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2277613 0.94 HTR6 (0.41) HTR6MAPK1KMT2AMEN1BCHE
SCHEMBL2278657 0.90 MAPK1 (0.48) HTR6MAPK1KMT2AMEN1BCHE
SCHEMBL2278662 0.90 MAPK1 (0.48) HTR6MAPK1KMT2AMEN1BCHE
SCHEMBL2282617 0.87 MAPK1 (0.54) HTR6MAPK1KMT2AMEN1BCHE
SCHEMBL2270617 0.86 JAK2 (0.44) HTR6MAPK1KMT2AMEN1BCHE
SCHEMBL2270606 0.86 JAK2 (0.44) HTR6MAPK1KMT2AMEN1BCHE
SCHEMBL2271805 0.83 JAK2 (0.47) MAPK1KMT2AMEN1JAK1
SCHEMBL2274994 0.82 JAK1 (0.39) HTR6MAPK1JAK1
SCHEMBL2274989 0.82 JAK1 (0.39) HTR6MAPK1JAK1
SCHEMBL2293047 0.80 MAPK1 (0.37) HTR6MAPK1KMT2AMEN1SIGMAR1

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HTR6 3644/4885MAPK1 2009/4885KMT2A 1997/4885

“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.