SCHEMBL2304665

SCHEMBL2304665

COc1ccc(C)c(Nc2nc3ccccc3nc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.48
PIK3CG P48736 8/20 0.47
LCK P06239 1/20 0.47
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
NQO2 P16083 1/20 0.46
ULK1 O75385 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL15256356 0.88 PIK3CG (0.48) MAPTTP53PIK3CGMEN1NPC1
SCHEMBL2304491 0.86 MAPT (0.61) MAPTTP53MEN1NPC1KMT2A
SCHEMBL2303330 0.85 PIK3CG (0.50) MAPTPIK3CGMEN1NPC1KMT2A
SCHEMBL2307067 0.85 PIK3CG (0.47) MAPTTP53PIK3CGMEN1NPC1
SCHEMBL15193587 0.84 MAPT (0.43) MAPTTP53PIK3CGMEN1NPC1
SCHEMBL4021236 0.82 L3MBTL1 (0.55) MAPTTP53PIK3CGLCKMEN1
SCHEMBL2301255 0.81 MAPT (0.45) MAPTTP53PIK3CGMEN1NPC1
SCHEMBL15192988 0.79 MAPT (0.46) MAPTTP53PIK3CGMEN1NPC1
SCHEMBL18175003 0.78 PIK3CG (0.71) PIK3CG
SCHEMBL15193833 0.78 NPC1 (0.45) MAPTTP53PIK3CGMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US claimed
JP-2009506015-A 2009-02-12 JP claimed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 EP claimed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO claimed
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
EP-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 EP disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US disclosed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 EP disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 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 (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 MAPT 2973/4885TP53 201/4885PIK3CG 110/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885TP53 395/4885PIK3CG 4/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885TP53 395/4885PIK3CG 4/4885

“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.