SCHEMBL4020174

SCHEMBL4020174

COc1ccc(-n2cccc2)c(Nc2nc3ccccc3nc2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TYMS P04818 3/20 0.46
DHFR P00374 2/20 0.46
MAPT P10636 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PIK3CG P48736 1/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2301255 0.84 MAPT (0.45) KDM4ELMNAALDH1A1NPSR1MAPT
SCHEMBL4021236 0.82 L3MBTL1 (0.55) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL2300420 0.80 PIK3CG (0.64) ALDH1A1MAPTKMT2AMEN1PIK3CG
SCHEMBL4025568 0.74 MAPT (0.54) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL4019259 0.74 MAPT (0.54) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL2304757 0.73 PIK3CD (0.55) KDM4EL3MBTL1LMNAALDH1A1NPSR1
SCHEMBL4019806 0.72 PGK1 (0.54) KDM4EL3MBTL1LMNAALDH1A1MAPT
SCHEMBL4024471 0.71 PIK3CD (0.66) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL4016340 0.71 ABCG2 (0.65) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL4019796 0.70 ALDH1A1 (0.58) KDM4EL3MBTL1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US disclosed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 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 (3 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-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors PI4KA, PIP5K1B, PDPK1 KDM4E 2673/4885L3MBTL1 1118/4885LMNA 3458/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA KDM4E 4420/4885L3MBTL1 3426/4885LMNA 4784/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA KDM4E 4420/4885L3MBTL1 3426/4885LMNA 4784/4885

“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.