Sugi Predict

Sugi Predict / Compounds / SCHEMBL4026477

SCHEMBL4026477

SCHEMBL4026477

COc1cc(Nc2nc3ccccc3nc2-c2ccc(C(C)=O)cc2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.55
▸ DHFR P00374 2/20 0.55
▸ PIK3CA P42336 3/20 0.51
▸ MAPT P10636 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PIK3CD O00329 4/20 0.48
▸ PIK3CG P48736 3/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ MTOR P42345 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ RPTOR Q8N122 1/20 0.46
▸ MLST8 Q9BVC4 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4020733 0.83 TYMS (0.59) TYMSDHFRPIK3CAMAPTTP53
SCHEMBL4018007 0.83 TYMS (0.59) TYMSDHFRPIK3CAMAPTTP53
SCHEMBL4019796 0.82 ALDH1A1 (0.58) MAPTTP53PIK3CDPIK3CGLMNA
SCHEMBL27901724 0.81 PIK3CA (0.58) TYMSDHFRPIK3CAMAPTTP53
SCHEMBL2300729 0.80 PIK3CD (0.77) PIK3CAMAPTTP53SMN1; SMN2PIK3CD
SCHEMBL4016340 0.77 ABCG2 (0.65) TYMSDHFRPIK3CAMAPTSMN1; SMN2
SCHEMBL4019248 0.76 TYMS (0.57) TYMSDHFRPIK3CAMAPTTP53
SCHEMBL4019255 0.75 TYMS (0.61) TYMSDHFRPIK3CAMAPTTP53
SCHEMBL28805678 0.74 PIK3CA (0.59) TYMSDHFRPIK3CAMAPTPIK3CD
SCHEMBL4018542 0.74 ABCG2 (0.55) TYMSDHFRMAPTTP53SMN1; SMN2

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 TYMS 1605/4885DHFR 4026/4885PIK3CA 70/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA TYMS 822/4885DHFR 3763/4885PIK3CA 3/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA TYMS 822/4885DHFR 3763/4885PIK3CA 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.