SCHEMBL4016340

SCHEMBL4016340

COc1ccc(-c2nc3ccccc3nc2Nc2cccc(OC)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.65
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 5/20 0.56
LMNA P02545 4/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ABCB1 P08183 4/20 0.56
PDE5A O76074 1/20 0.56
MAPT P10636 5/20 0.56
HPGD P15428 2/20 0.56
CLK4 Q9HAZ1 2/20 0.54
DYRK3 O43781 1/20 0.54
MAP4K4 O95819 1/20 0.54
EGFR P00533 1/20 0.54
PDGFRA P16234 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54

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
SCHEMBL4018542 0.91 ABCG2 (0.55) ABCG2MEN1KMT2AKDM4ELMNA
SCHEMBL15958633 0.81 MAPT (0.60) ABCG2MEN1KMT2AKDM4ELMNA
SCHEMBL4020733 0.81 TYMS (0.59) ABCG2MEN1KMT2AKDM4ELMNA
SCHEMBL4018007 0.81 TYMS (0.59) KDM4ELMNAALDH1A1L3MBTL1NPSR1
SCHEMBL2301864 0.80 KDM4E (0.59) ABCG2MEN1KMT2AKDM4ELMNA
SCHEMBL7691978 0.79 ABCG2 (0.59) ABCG2MEN1KMT2AKDM4ELMNA
SCHEMBL2304000 0.77 MEN1 (0.77) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4026477 0.77 TYMS (0.55) ABCG2MEN1KMT2AKDM4ELMNA
SCHEMBL6339578 0.76 KDM4E (0.92) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL30696080 0.76 KDM4E (0.92) MEN1KMT2AKDM4ELMNAALDH1A1

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 ABCG2 3857/4885MEN1 1772/4885KMT2A 3815/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA ABCG2 3576/4885MEN1 3412/4885KMT2A 4603/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA ABCG2 3576/4885MEN1 3412/4885KMT2A 4603/4885

“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.