SCHEMBL14746559

SCHEMBL14746559

CC(Cc1ccccn1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(F)ccc34)nc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.36
MAPK1 P28482 7/20 0.35
PDE10A Q9Y233 2/20 0.33
CYP3A4 P08684 2/20 0.33
PTGFR P43088 1/20 0.33
MAP2K4 P45985 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RIPK1 Q13546 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC5A7 Q9GZV3 1/20 0.32
SYK P43405 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL14751269 0.89 MAPK1 (0.39) MAPK1MAP2K4RIPK1
SCHEMBL14747033 0.86 MAPK1 (0.39) MAPK1RIPK1MAPT
SCHEMBL14737773 0.83 SYK (0.43) MAPK1MAP2K4SYKMAPT
SCHEMBL14738039 0.83 MAPK1 (0.41) MAPK1MAP2K4MAPT
SCHEMBL14751282 0.83 DGAT2 (0.37) DGAT2SYK
SCHEMBL14738342 0.81 SYK (0.43) MAPK1MAP2K4SYKMAPT
SCHEMBL14747034 0.81 PDE4A (0.37) MAPK1MAP2K4ALDH1A1SMN1; SMN2MAPT
SCHEMBL14751281 0.81 SYK (0.39) MAPK1MAP2K4SYK
SCHEMBL14751287 0.80 CYP3A4 (0.39) DGAT2PDE10ACYP3A4PTGFRALDH1A1
SCHEMBL14751300 0.78 MAPK1 (0.37) MAPK1MAP2K4RIPK1SYKMAPT

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 8 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-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO 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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (1 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 DGAT2 4557/4885MAPK1 233/4885PDE10A 2045/4885

“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.