SCHEMBL14738342

SCHEMBL14738342

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.43
MAP2K4 P45985 2/20 0.38
DYRK1A Q13627 1/20 0.35
DGAT1 O75907 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
ALPL P05186 1/20 0.33
ALOX15 P16050 1/20 0.33
P2RX3 P56373 1/20 0.32
SCN9A Q15858 1/20 0.32
CHEK1 O14757 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
SCHEMBL14751281 0.94 SYK (0.39) SYKMAP2K4DGAT1MAPK1ALPL
SCHEMBL14737531 0.90 MAP2K4 (0.41) SYKMAP2K4DGAT1MAPTMAPK1
SCHEMBL14751300 0.90 MAPK1 (0.37) SYKMAP2K4MAPTMAPK1
SCHEMBL14751035 0.89 JAK2 (0.42) SYKJAK2JAK1TYK2JAK3
SCHEMBL14751981 0.87 JAK2 (0.52) JAK2JAK1TYK2JAK3
SCHEMBL14738845 0.87 SYK (0.35) SYKDYRK1ADGAT1JAK2JAK1
SCHEMBL14738185 0.85 SYK (0.60) SYKDGAT1MAPTJAK2JAK1
SCHEMBL14751269 0.85 MAPK1 (0.39) MAP2K4MAPK1
SCHEMBL14738419 0.84 SYK (0.49) SYKDGAT1MAPTJAK2JAK1
SCHEMBL14747033 0.83 MAPK1 (0.39) MAPTMAPK1

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 11 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-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
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
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 SYK 1/4885MAP2K4 772/4885DYRK1A 458/4885

“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.