SCHEMBL3987482

SCHEMBL3987482

COCCn1c(-c2nc(-c3cccs3)cnc2N)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.52
ALDH1A1 P00352 8/20 0.52
HPGD P15428 6/20 0.52
TSHR P16473 6/20 0.52
HSD17B10 Q99714 6/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
RCE1 Q9Y256 1/20 0.48
GLA P06280 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
CASR P41180 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 3/20 0.45
TP53 P04637 2/20 0.45
RECQL P46063 1/20 0.45
CASP7 P55210 3/20 0.45
NSD2 O96028 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
SCHEMBL5919609 0.85 ATR (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL3987496 0.82 HPGD (0.58) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL3979773 0.78 HPGD (0.62) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL3983278 0.77 RPS6KA5 (0.62) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL3987736 0.75 HPGD (0.50) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL3950222 0.74 EGFR (0.81) EGFR
SCHEMBL3948199 0.74 EGFR (0.68) EGFR
SCHEMBL13613482 0.69 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5374411 0.69 HPGD (1.00) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL15595665 0.69 POLB (0.69) KDM4EALDH1A1HPGDTSHRHTT

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 16 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 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 KDM4E 1345/4885ALDH1A1 3409/4885HPGD 1740/4885
US-20060084651-A1 Chemical compounds STK25, MAP3K5, STK35 KDM4E 859/4885ALDH1A1 3276/4885HPGD 2223/4885
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 KDM4E 1345/4885ALDH1A1 3409/4885HPGD 1740/4885

“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.