SCHEMBL2293119

SCHEMBL2293119

CN(CC(F)(F)F)C(=O)NC1CCC(n2nnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
HTR6 P50406 2/20 0.31
MAOB P27338 1/20 0.31
GALK1 P51570 1/20 0.30
PDPK1 O15530 1/20 0.30
DPP4 P27487 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
TTK P33981 1/20 0.30

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
SCHEMBL2276105 0.85 JAK1 (0.42) ATMHTR6MAOBPDPK1ALDH1A1
SCHEMBL2281459 0.84 JAK1 (0.44) HTR6MAOB
SCHEMBL2275374 0.79 JAK1 (0.50)
SCHEMBL2226218 0.76 CYP2C19 (0.36) HTR6MAOBALDH1A1LMNA
SCHEMBL2278366 0.76 MEN1 (0.39) HTR6MAOBALDH1A1LMNA
SCHEMBL2273597 0.75 JAK1 (0.46) HTR6
SCHEMBL2296030 0.74 TP53 (0.41) ALDH1A1
SCHEMBL2276023 0.73 JAK1 (0.47) HTT
SCHEMBL2276301 0.73 MEN1 (0.37) HTR6MAOBALDH1A1LMNA
SCHEMBL2293125 0.73 JAK1 (0.35)

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 ATM 1889/4885HTR6 3644/4885MAOB 749/4885

“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.