SCHEMBL14737803

SCHEMBL14737803

Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.37
DGAT1 O75907 5/20 0.36
MAPT P10636 1/20 0.32
PTPN1 P18031 1/20 0.32
KLKB1 P03952 1/20 0.31
NPC1 O15118 1/20 0.31
CYP2C9 P11712 1/20 0.31
MCL1 Q07820 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 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
SCHEMBL14737410 0.90 SYK (0.48) SYKDGAT1MAPTPTPN1CYP2C9
SCHEMBL14738715 0.90 SYK (0.41) SYKDGAT1PTPN1JAK2JAK1
SCHEMBL14737296 0.90 SYK (0.35) SYKDGAT1CYP2C9
SCHEMBL14737345 0.87 SYK (0.46) SYKDGAT1MAPTCYP2C9JAK2
SCHEMBL14737251 0.86 DGAT1 (0.38) SYKDGAT1MAPTNPC1JAK2
SCHEMBL14737636 0.86 SYK (0.40) SYKDGAT1PTPN1JAK2JAK1
SCHEMBL14737172 0.85 JAK2 (0.40) SYKDGAT1MAPTCYP2C9JAK2
SCHEMBL14747074 0.85 JAK2 (0.36) SYKDGAT1KLKB1JAK2JAK1
SCHEMBL14737851 0.84 DGAT1 (0.41) SYKDGAT1KLKB1CYP2C9JAK2
SCHEMBL14738585 0.84 SYK (0.50) SYKDGAT1PTPN1CYP2C9

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 SYK 1/4885DGAT1 4426/4885MAPT 3736/4885

“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.