Sugi Predict

Sugi Predict / Compounds / SCHEMBL4022930

SCHEMBL4022930

SCHEMBL4022930

COc1ccc(OC)c(Nc2nc3ccccc3nc2-c2ccccc2C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.55
▸ MAPT P10636 5/20 0.52
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ TP53 P04637 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL4019884 0.83 MAPT (0.54) PIK3CDMAPTMEN1KMT2AL3MBTL1
SCHEMBL4017172 0.82 MAPT (0.49) PIK3CDMAPTMEN1KMT2AL3MBTL1
SCHEMBL4019802 0.81 PIK3CD (0.66) PIK3CDMAPTMEN1KMT2AL3MBTL1
SCHEMBL2303223 0.79 PIK3CD (0.72) PIK3CDMAPTKMT2A
SCHEMBL4025568 0.76 MAPT (0.54) PIK3CDMAPTMEN1KMT2AL3MBTL1
SCHEMBL4019259 0.76 MAPT (0.54) PIK3CDMAPTMEN1KMT2AL3MBTL1
SCHEMBL2304491 0.75 MAPT (0.61) PIK3CDMAPTMEN1KMT2AL3MBTL1
SCHEMBL4019806 0.75 PGK1 (0.54) PIK3CDMAPTMEN1KMT2AL3MBTL1
SCHEMBL7699357 0.74 KMT2A (0.62) PIK3CDMAPTMEN1KMT2AL3MBTL1
SCHEMBL4337577 0.74 MAPT (0.50) PIK3CDMAPTMEN1KMT2AL3MBTL1

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 PIK3CD 74/4885MAPT 2973/4885MEN1 1772/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CD 2/4885MAPT 3146/4885MEN1 3412/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CD 2/4885MAPT 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.