SCHEMBL2301255

SCHEMBL2301255

COc1ccc(-n2cccc2)c(Nc2nc3ccccc3nc2N)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
PIK3CG P48736 10/20 0.43
KDM4E B2RXH2 3/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NQO2 P16083 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CD O00329 1/20 0.40

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
SCHEMBL4020174 0.84 KDM4E (0.49) MAPTPIK3CGKDM4ETP53MEN1
SCHEMBL15256356 0.82 PIK3CG (0.48) MAPTPIK3CGKDM4ETP53NPC1
SCHEMBL2304665 0.81 MAPT (0.52) MAPTPIK3CGKDM4ETP53NPC1
SCHEMBL2304491 0.81 MAPT (0.61) MAPTKDM4ETP53NPC1MEN1
SCHEMBL2307067 0.80 PIK3CG (0.47) MAPTPIK3CGKDM4ETP53NPC1
SCHEMBL2303330 0.80 PIK3CG (0.50) MAPTPIK3CGKDM4ENPC1RAB9A
SCHEMBL2300420 0.79 PIK3CG (0.64) MAPTPIK3CGMEN1ALDH1A1POLB
SCHEMBL15192988 0.74 MAPT (0.46) MAPTPIK3CGKDM4ETP53NPC1
SCHEMBL15193587 0.74 MAPT (0.43) MAPTPIK3CGKDM4ETP53NPC1
SCHEMBL18175003 0.74 PIK3CG (0.71) PIK3CG

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 2973/4885PIK3CG 110/4885KDM4E 2673/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885PIK3CG 4/4885KDM4E 4420/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885PIK3CG 4/4885KDM4E 4420/4885

“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.