SCHEMBL4019796

SCHEMBL4019796

COc1ccc(OC)c(Nc2nc3ccccc3nc2-c2ccc(C(C)=O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
SHMT2 P34897 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PIK3CD O00329 3/20 0.49
CSNK2A1 P68400 1/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PIK3CG P48736 1/20 0.46

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
SCHEMBL4025568 0.84 MAPT (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4019259 0.84 MAPT (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4026477 0.82 TYMS (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2301960 0.82 PIK3CD (0.68) MAPTMEN1KMT2APIK3CDPIK3CG
SCHEMBL4019806 0.78 PGK1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2304757 0.77 PIK3CD (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27901645 0.76 PIK3CD (0.56) MAPTMEN1KMT2AKDM4EPIK3CD
SCHEMBL4019802 0.76 PIK3CD (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4019884 0.76 MAPT (0.54) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL4024471 0.75 PIK3CD (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH1A1 1531/4885MAPT 2973/4885MEN1 1772/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA ALDH1A1 2357/4885MAPT 3146/4885MEN1 3412/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA ALDH1A1 2357/4885MAPT 3146/4885MEN1 3412/4885

“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.