SCHEMBL14737449

SCHEMBL14737449

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)cc(F)c34)nc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 1/20 0.41
SYK P43405 6/20 0.34
DGAT1 O75907 1/20 0.33
NR3C1 P04150 1/20 0.33
MAPT P10636 4/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL14737924 0.93 SYK (0.34) JAK2JAK1JAK3SYKDGAT1
SCHEMBL14737448 0.91 JAK2 (0.47) JAK2JAK1JAK3SYKDGAT1
SCHEMBL14738130 0.90 JAK2 (0.33) JAK2JAK1JAK3SYKDGAT1
SCHEMBL14737877 0.90 JAK2 (0.40) JAK2JAK1JAK3SYKDGAT1
SCHEMBL14738281 0.88 KDM5B (0.36) SYKNR3C1CNR2PDE4B
SCHEMBL14751233 0.88 JAK2 (0.45) JAK2JAK1JAK3SYKDGAT1
SCHEMBL14738188 0.87 SYK (0.48) JAK2JAK1JAK3SYKDGAT1
SCHEMBL14738846 0.86 DGAT1 (0.32) DGAT1MAPTCNR1CNR2PDE4B
SCHEMBL14751137 0.84 JAK2 (0.56) JAK2JAK1JAK3SYK
SCHEMBL14737921 0.83 JAK2 (0.39) JAK2JAK1JAK3SYKDGAT1

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 5 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
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

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 JAK2 5/4885JAK1 3/4885JAK3 10/4885

“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.