SCHEMBL4019802

SCHEMBL4019802

COc1ccc(OC)c(Nc2nc3ccccc3nc2-c2cccc(C#N)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.66
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 2/20 0.49
ABCG2 Q9UNQ0 4/20 0.48
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ACP1 P24666 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46

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 0.84 PGK1 (0.54) PIK3CDMEN1KMT2AMAPTCYP3A4
SCHEMBL4025686 0.83 TYMS (0.54) PIK3CDMEN1KMT2AMAPTCYP3A4
SCHEMBL4022930 0.81 PIK3CD (0.55) PIK3CDMEN1KMT2AMAPTALDH1A1
SCHEMBL27901645 0.80 PIK3CD (0.56) PIK3CDMEN1KMT2AMAPTCYP3A4
SCHEMBL2305051 0.79 PIK3CD (1.00) PIK3CDKMT2AMAPT
SCHEMBL4019259 0.79 MAPT (0.54) PIK3CDMEN1KMT2AMAPTALDH1A1
SCHEMBL4025568 0.79 MAPT (0.54) PIK3CDMEN1KMT2AMAPTALDH1A1
SCHEMBL2304757 0.77 PIK3CD (0.55) PIK3CDMEN1KMT2AMAPTCYP3A4
SCHEMBL4019796 0.76 ALDH1A1 (0.58) PIK3CDMEN1KMT2AMAPTCYP3A4
SCHEMBL4019884 0.75 MAPT (0.54) PIK3CDMEN1KMT2AMAPTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 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 (2 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 74/4885MEN1 1772/4885KMT2A 3815/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CD 2/4885MEN1 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.