SCHEMBL4019259

SCHEMBL4019259

COc1ccc(OC)c(Nc2nc3ccccc3nc2-c2ccc(Cl)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
PGK1 P00558 1/20 0.51
TP53 P04637 2/20 0.51
PIK3CD O00329 3/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACP1 P24666 1/20 0.47

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
SCHEMBL4019806 0.89 PGK1 (0.54) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL4025568 0.88 MAPT (0.54) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL4019796 0.84 ALDH1A1 (0.58) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL4019884 0.84 MAPT (0.54) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL2304757 0.81 PIK3CD (0.55) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL4018007 0.81 TYMS (0.59) MAPTKDM4EL3MBTL1PGK1TP53
SCHEMBL7905044 0.81 MAPT (0.55) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL188618 0.79 MAPT (0.75) MAPTMEN1KMT2ATP53PIK3CD
SCHEMBL4019802 0.79 PIK3CD (0.66) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL4024471 0.79 PIK3CD (0.66) MAPTMEN1KMT2AKDM4EL3MBTL1

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 MAPT 2973/4885MEN1 1772/4885KMT2A 3815/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885MEN1 3412/4885KMT2A 4603/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885MEN1 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.