SCHEMBL3402691

SCHEMBL3402691

CC(C)Nc1ncc(Br)nc1-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
TRPM8 Q7Z2W7 2/20 0.35
GRM5 P41594 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
MITF O75030 1/20 0.33
HTT P42858 2/20 0.32
IDO1 P14902 2/20 0.32
KMT2A Q03164 2/20 0.31
SYK P43405 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CDK2 P24941 2/20 0.31

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
SCHEMBL3405849 0.83 TRIM24 (0.41) TRIM24TRIM33TRPM8GRM5LMNA
SCHEMBL3645300 0.75 TRIM24 (0.47) TRIM24TRIM33TRPM8LMNASMN1; SMN2
SCHEMBL29773795 0.71 TRIM24 (0.61) TRIM24TRIM33LMNASMN1; SMN2L3MBTL1
SCHEMBL3404089 0.68 CYP1A2 (0.41) TRIM24TRIM33TRPM8MAPT
SCHEMBL6648042 0.67 LMNA (0.36) TRPM8LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL6647400 0.66 LMNA (0.38) TRPM8LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL31441719 0.63 SMN1; SMN2 (0.42) TRPM8LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL13562934 0.63 SMN1; SMN2 (0.42) TRPM8LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL11437932 0.63 TRIM24 (0.56) TRIM24TRIM33LMNASMN1; SMN2L3MBTL1
SCHEMBL7505954 0.62 TRIM24 (0.51) TRIM24TRIM33LMNAL3MBTL1IDO1

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 3718/4885TRPM8 69/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 TRIM24 4403/4885TRIM33 3718/4885TRPM8 69/4885

“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.