SCHEMBL2296030

SCHEMBL2296030

CC(C)NC(=O)C1CCC(n2nnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KMT2A Q03164 4/20 0.38
EPHX2 P34913 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALK Q9UM73 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2278366 0.84 MEN1 (0.39) KMT2AALDH1A1USP2MEN1
SCHEMBL2276301 0.81 MEN1 (0.37) KMT2AALDH1A1USP2MEN1GAA
SCHEMBL2273128 0.80 JAK1 (0.39) KMT2AUSP2MEN1
SCHEMBL2276105 0.80 JAK1 (0.42) ALDH1A1GAA
SCHEMBL2278538 0.80 MEN1 (0.38) KMT2AUSP2MEN1
SCHEMBL2226218 0.79 CYP2C19 (0.36) KMT2AALDH1A1USP2MEN1
SCHEMBL2279103 0.78 MEN1 (0.36) KMT2AALDH1A1USP2MEN1
SCHEMBL2281459 0.78 JAK1 (0.44) KMT2A
SCHEMBL2278388 0.76 TP53 (0.40) TP53KMT2AEPHX2HSD17B10ALDH1A1
SCHEMBL2278429 0.75 JAK1 (0.50)

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 TP53 39/4885KMT2A 1997/4885EPHX2 669/4885

“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.