SCHEMBL3979773

SCHEMBL3979773

COCCn1c(-c2nccnc2N)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CASR P41180 1/20 0.55
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 3/20 0.53
NSD2 O96028 1/20 0.53
IDO1 P14902 1/20 0.53
CRHBP P24387 1/20 0.53
TDO2 P48775 1/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53
CRHR2 Q13324 1/20 0.53
RPS6KA5 O75582 2/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3987496 0.84 HPGD (0.58) HPGDKDM4EALDH1A1SMN1; SMN2CASR
SCHEMBL3987482 0.78 KDM4E (0.52) HPGDKDM4EALDH1A1SMN1; SMN2CASR
SCHEMBL5374411 0.77 HPGD (1.00) HPGDKDM4EALDH1A1SMN1; SMN2CASR
SCHEMBL1901248 0.77 RPS6KA5 (0.50) KDM4EALDH1A1SMN1; SMN2TSHRRPS6KA5
SCHEMBL15595665 0.77 POLB (0.69) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7175782 0.76 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7178149 0.76 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7175740 0.76 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7171387 0.76 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7178948 0.76 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR

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

“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.