SCHEMBL1350503

SCHEMBL1350503

C[Si](C)(C)CCOCn1cc(C=O)c2nc(Oc3ccccc3)cnc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.36
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MAP4K4 O95819 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NLRP3 Q96P20 1/20 0.32
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 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
SCHEMBL1351068 0.84 DGAT1 (0.40) DGAT1ALDH1A1HTTNPC1MAPT
SCHEMBL12148201 0.84 JAK2 (0.40) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3397747 0.83 DGAT1 (0.34) DGAT1ALDH1A1HTTJAK2JAK1
SCHEMBL2344237 0.81 DGAT1 (0.38) DGAT1ALDH1A1HTTJAK2JAK1
SCHEMBL12133508 0.81 DGAT1 (0.39) DGAT1
SCHEMBL1350460 0.80 DGAT1 (0.43) DGAT1
SCHEMBL12300503 0.80 DGAT1 (0.36) DGAT1
SCHEMBL29489019 0.80 DGAT1 (0.43) DGAT1
SCHEMBL1352886 0.80 DGAT1 (0.38) DGAT1MAPT
SCHEMBL1369630 0.79 JAK3 (0.52) DGAT1JAK2JAK1JAK3KMT2A

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 13 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-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2571881-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP 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
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
US-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 CN disclosed
WO-2011144584-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US 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
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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 (4 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK DGAT1 4811/4885ALDH1A1 4643/4885HTT 3648/4885
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 DGAT1 4772/4885ALDH1A1 4484/4885HTT 3708/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 DGAT1 4772/4885ALDH1A1 4484/4885HTT 3708/4885
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 DGAT1 4732/4885ALDH1A1 4059/4885HTT 3802/4885

“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.