SCHEMBL1371876

SCHEMBL1371876

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
DGAT1 O75907 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 1/20 0.33
DPP4 P27487 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1369168 0.92 DGAT1 (0.39) DGAT1MAPTALDH1A1TSHRMEN1
SCHEMBL29936376 0.89 DGAT1 (0.42) POLBDGAT1MAPTALDH1A1TSHR
SCHEMBL20598748 0.89 DGAT1 (0.42) POLBDGAT1MAPTALDH1A1TSHR
SCHEMBL1696885 0.88 DGAT1 (0.38) DGAT1
SCHEMBL1371873 0.87 DGAT1 (0.39) DGAT1MAPTALDH1A1HTT
SCHEMBL13858243 0.86 DGAT1 (0.40) DGAT1MAPT
SCHEMBL1372546 0.85 DGAT1 (0.41) POLBTDP1DGAT1MAPTALDH1A1
SCHEMBL29936480 0.85 DGAT1 (0.42) DGAT1MAPTNPC1
SCHEMBL1352880 0.85 DGAT1 (0.42) DGAT1MAPTNPC1
SCHEMBL1370137 0.85 DGAT1 (0.38) DGAT1MAPTKDM4E

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 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-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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

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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 POLB 1896/4885TDP1 884/4885DGAT1 4772/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 POLB 2371/4885TDP1 619/4885DGAT1 4426/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 POLB 1896/4885TDP1 884/4885DGAT1 4772/4885

“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.