SCHEMBL3406909

SCHEMBL3406909

CON(C)C(=O)c1nc(Br)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.44
GRM5 P41594 2/20 0.42
ACVR1 Q04771 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PRKDC P78527 1/20 0.32
PIK3CD O00329 1/20 0.31
MLYCD O95822 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 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
SCHEMBL26127730 0.86 MEN1 (0.34) ATRGRM5MEN1KMT2ATDP1
SCHEMBL12343675 0.84 GRM5 (0.45) ATRGRM5ACVR1MEN1KMT2A
SCHEMBL1585805 0.83 ATR (0.49) ATRGRM5ACVR1PIM1PIM3
SCHEMBL3373299 0.83 ACVR1 (0.33) ATRGRM5ACVR1TRPM8CLK1
SCHEMBL31448218 0.82 ATR (0.48) ATRGRM5ACVR1PIM1PIM3
SCHEMBL25374333 0.81 MEN1 (0.34) ATRMEN1KMT2ATDP1TRPM8
SCHEMBL13076081 0.79 CLK1 (0.38) MEN1KMT2ATDP1TRPM8CLK1
SCHEMBL30050535 0.78 ATR (0.54) ATRGRM5ACVR1PIM1PIM3
SCHEMBL261742 0.78 ATR (0.54) ATRGRM5ACVR1PIM1PIM3
SCHEMBL3593546 0.77 ATR (0.55) ATRPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458979-B Aminopyrazine derivatives as phosphatidylinositol 3-kinase inhibitors 诺华股份有限公司 2020-03-27 CN disclosed
US-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-08-30 US disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
EP-3134397-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2017-03-01 EP disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 US disclosed
WO-2015162459-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 WO disclosed
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 (5 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-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B ATR 2082/4885GRM5 1029/4885ACVR1 3409/4885
US-20090239847-A1 Organic compounds AR, TRPA1, IL33 ATR 4183/4885GRM5 3387/4885ACVR1 1799/4885
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B ATR 2082/4885GRM5 1029/4885ACVR1 3409/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B ATR 2082/4885GRM5 1029/4885ACVR1 3409/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 ATR 4183/4885GRM5 3387/4885ACVR1 1799/4885

“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.