Sugi Predict

Sugi Predict / Compounds / SCHEMBL4017172

SCHEMBL4017172

SCHEMBL4017172

COc1cc(Nc2nc3ccccc3nc2-c2ccccc2C#N)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ TYMS P04818 2/20 0.47
▸ DHFR P00374 1/20 0.47
▸ PIK3CD O00329 2/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SRC P12931 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41

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
SCHEMBL4022930 0.82 PIK3CD (0.55) MAPTKDM4EGAAPIK3CDMEN1
SCHEMBL27963125 0.81 PIK3CA (0.55) MAPTKDM4EPIK3CATYMSDHFR
SCHEMBL4026540 0.81 PIK3CA (0.52) MAPTKDM4EPIK3CATYMSDHFR
SCHEMBL4025686 0.79 TYMS (0.54) MAPTKDM4EPIK3CAGAATYMS
SCHEMBL188702 0.77 PIK3CG (0.65) MAPTKDM4EPIK3CAPIK3CDPIK3CB
SCHEMBL4636003 0.77 PIK3CA (0.56) MAPTKDM4EPIK3CATYMSDHFR
SCHEMBL3802329 0.76 PIK3CA (0.55) MAPTKDM4EPIK3CATYMSDHFR
SCHEMBL22001145 0.75 ABL1 (0.46) MAPTGAAMEN1KMT2AFGFR3
SCHEMBL4020733 0.74 TYMS (0.59) MAPTKDM4EPIK3CATYMSDHFR
SCHEMBL4018007 0.74 TYMS (0.59) MAPTKDM4EPIK3CAGAATYMS

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 2973/4885KDM4E 2673/4885PIK3CA 70/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885KDM4E 4420/4885PIK3CA 3/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885KDM4E 4420/4885PIK3CA 3/4885

“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.