SCHEMBL1370838

SCHEMBL1370838

C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccc(C(=O)O)s3)nc12)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.34
HPGD P15428 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
MAPT P10636 2/20 0.31
PTPN1 P18031 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL1370835 0.95 DGAT1 (0.35) DGAT1HPGDJAK2JAK1JAK3
SCHEMBL1369228 0.95 DGAT1 (0.35) DGAT1HPGDJAK2JAK1JAK3
SCHEMBL14796992 0.94 DGAT1 (0.34) DGAT1HPGDJAK2JAK1JAK3
SCHEMBL1371408 0.92 DGAT1 (0.33) DGAT1HPGDJAK2JAK1JAK3
SCHEMBL1369830 0.91 ESRRG (0.37) DGAT1HPGDMAPTKDM4EALDH1A1
SCHEMBL1369229 0.89 DGAT1 (0.34) DGAT1HPGDJAK2JAK1JAK3
SCHEMBL1369660 0.87 DYRK1A (0.34) DGAT1HPGDJAK2JAK1JAK3
SCHEMBL1370843 0.85 STIM1 (0.33) DGAT1MAPT
SCHEMBL14795236 0.82 DGAT1 (0.33) DGAT1HPGDMAPTPTPN1KDM4E
SCHEMBL1370337 0.82 DGAT1 (0.38) DGAT1HPGDJAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 DGAT1 4772/4885HPGD 3393/4885JAK2 3/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 DGAT1 4772/4885HPGD 3393/4885JAK2 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.