SCHEMBL1371256

SCHEMBL1371256

Cc1nn(C)cc1-c1cnc2c(n1)c(C(=O)O)cn2COCC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
KLK7 P49862 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DGAT1 O75907 9/20 0.37
KLKB1 P03952 1/20 0.35
MAPK1 P28482 2/20 0.33
MCL1 Q07820 1/20 0.33
ALKBH1 Q13686 1/20 0.31

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
SCHEMBL1369460 0.85 HCAR2 (0.39) HPGDKDM4EALDH1A1GAACASP1
SCHEMBL1369637 0.84 DGAT1 (0.35) HPGDKDM4EALDH1A1GAACASP1
SCHEMBL1371023 0.83 CHEK1 (0.41) DGAT1KLKB1MAPK1
SCHEMBL12145882 0.82 KLKB1 (0.40) CASP1DGAT1KLKB1
SCHEMBL14655938 0.82 DGAT1 (0.36) DGAT1KLKB1
SCHEMBL1370890 0.79 DGAT1 (0.39) HPGDKDM4EDGAT1KLKB1
SCHEMBL27978857 0.79 MAPT (0.40) KDM4EALDH1A1DGAT1MAPK1
SCHEMBL29936480 0.79 DGAT1 (0.42) DGAT1KLKB1
SCHEMBL14738023 0.79 DGAT1 (0.42) DGAT1KLKB1ALKBH1
SCHEMBL1352880 0.79 DGAT1 (0.42) DGAT1KLKB1

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 10 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
CN-103003281-A Pyrrolo [2, 3 - b] pyrazine - 7 - carboxamide derivatives and their use as jak and syk inhibitors HOFFMANN LA ROCHE 2013-03-27 CN 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 HPGD 3393/4885KDM4E 749/4885ALDH1A1 4484/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 HPGD 3393/4885KDM4E 749/4885ALDH1A1 4484/4885

“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.