SCHEMBL2273128

SCHEMBL2273128

O=C1CCC(n2nnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.37
MET P08581 1/20 0.35
HTR6 P50406 14/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BAP1 Q92560 1/20 0.35
MAOB P27338 2/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 1/20 0.33
HTR2A P28223 2/20 0.33
HTR1A P08908 1/20 0.33
SLC9A1 P19634 1/20 0.32

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
SCHEMBL2278538 0.91 MEN1 (0.38) JAK1MEN1KMT2ACYP2C19MET
SCHEMBL2278366 0.88 MEN1 (0.39) JAK1MEN1KMT2ACYP2C19MET
SCHEMBL2276301 0.85 MEN1 (0.37) JAK1MEN1KMT2ACYP2C19MET
SCHEMBL2276333 0.85 JAK1 (0.52) JAK1CYP2C19METHTR6DRD2
SCHEMBL2226218 0.84 CYP2C19 (0.36) JAK1MEN1KMT2ACYP2C19MET
SCHEMBL2279103 0.83 MEN1 (0.36) JAK1MEN1KMT2ACYP2C19MET
SCHEMBL2273730 0.80 JAK1 (0.41) JAK1CYP2C19HTR6
SCHEMBL2296030 0.80 TP53 (0.41) MEN1KMT2AUSP2
SCHEMBL2277384 0.79 HTR6 (0.43) JAK1CYP2C19HTR6NPSR1
SCHEMBL2276105 0.79 JAK1 (0.42) JAK1HTR6LMNAMAOB

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 JAK1 434/4885MEN1 298/4885KMT2A 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.