SCHEMBL3983558

SCHEMBL3983558

CCn1c(-c2nc(-c3cccnc3)cnc2N)nc2cnccc21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 10/20 0.66
DYRK1A Q13627 2/20 0.57
RPS6KB1 P23443 1/20 0.57
CDK2 P24941 1/20 0.57
ROCK1 Q13464 1/20 0.57
RPS6KA1 Q15418 1/20 0.57
EGFR P00533 1/20 0.49
ATR Q13535 5/20 0.47
SLC2A1 P11166 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 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
SCHEMBL3981904 0.92 RPS6KA5 (0.67) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL3988108 0.88 RPS6KA5 (0.67) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL13606522 0.88 RPS6KA5 (0.61) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL3987719 0.86 RPS6KA5 (0.65) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL13606511 0.85 SLC2A1 (0.59) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL13606523 0.85 RPS6KA5 (0.60) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL3984794 0.83 RPS6KA5 (0.60) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL13606516 0.82 RPS6KA5 (0.52) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL13606509 0.82 RPS6KA5 (0.57) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL13606517 0.82 RPS6KA5 (0.57) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-24 US claimed
US-20060084651-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-20 US claimed
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-24 US disclosed
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-24 US disclosed
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-24 US disclosed
US-7598251-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2009-10-06 US disclosed
US-7598251-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2009-10-06 US disclosed
US-7598251-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2009-10-06 US disclosed
US-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-05 US disclosed
US-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-05 US disclosed
US-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-05 US disclosed
US-7459454-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
US-7459454-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
US-7459454-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
EP-1606266-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-06-25 EP disclosed
US-20060084651-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-20 US disclosed
EP-1606266-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-12-21 EP disclosed
WO-2004084813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-07 WO 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-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 RPS6KA5 95/4885DYRK1A 218/4885RPS6KB1 541/4885
US-20060084651-A1 Chemical compounds STK25, MAP3K5, STK35 RPS6KA5 176/4885DYRK1A 455/4885RPS6KB1 852/4885
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 RPS6KA5 95/4885DYRK1A 218/4885RPS6KB1 541/4885

“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.