SCHEMBL3405849

SCHEMBL3405849

CC(C)Nc1nccnc1-c1ncccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
FDPS P14324 3/20 0.37
KMT2A Q03164 4/20 0.36
IDO1 P14902 2/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
LRRK2 Q5S007 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3645300 0.85 TRIM24 (0.47) TRIM24TRIM33FDPSKMT2AIDO1
SCHEMBL3402691 0.83 TRIM24 (0.41) TRIM24TRIM33KMT2AIDO1RAB9A
SCHEMBL29773795 0.78 TRIM24 (0.61) TRIM24TRIM33KMT2AIDO1RAB9A
SCHEMBL1376029 0.70 TRIM24 (0.52) TRIM24TRIM33FDPSKMT2AIDO1
SCHEMBL104084 0.70 IDO1 (0.51) FDPSKMT2AIDO1RAB9AKDM4E
SCHEMBL31023942 0.70 TRIM24 (0.52) TRIM24TRIM33FDPSKMT2AIDO1
SCHEMBL11477713 0.69 TRIM24 (0.43) TRIM24TRIM33FDPSKMT2AIDO1
SCHEMBL16878845 0.68 MEN1 (0.60) KMT2ARAB9AKDM4EMEN1NPC1
SCHEMBL29954898 0.68 TRIM24 (0.46) TRIM24TRIM33KMT2AIDO1RAB9A
SCHEMBL25740993 0.68 KDM4E (0.72) TRIM24TRIM33KMT2AIDO1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 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 (2 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 TRIM24 4403/4885TRIM33 3718/4885FDPS 3332/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 TRIM24 4403/4885TRIM33 3718/4885FDPS 3332/4885

“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.