SCHEMBL1369359

SCHEMBL1369359

CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4c(n3)c(C(=O)O)cn4COCC[Si](C)(C)C)cc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.52
JAK1 P23458 8/20 0.52
JAK3 P52333 8/20 0.52
PDE10A Q9Y233 2/20 0.36
DGAT1 O75907 1/20 0.33
MTNR1A P48039 4/20 0.33
NQO2 P16083 3/20 0.33
MTNR1B P49286 3/20 0.33
WDR5 P61964 2/20 0.33
BRAF P15056 1/20 0.33
KLKB1 P03952 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1369363 1.00 JAK2 (0.52) JAK2JAK1JAK3PDE10ADGAT1
SCHEMBL1370783 0.91 JAK2 (0.56) JAK2JAK1JAK3PDE10AWDR5
SCHEMBL1372179 0.89 JAK2 (0.49) JAK2JAK1JAK3PDE10ADGAT1
SCHEMBL12146510 0.83 JAK2 (0.43) JAK2JAK1JAK3DGAT1
SCHEMBL1370692 0.83 JAK2 (0.52) JAK2JAK1JAK3PDE10ADGAT1
SCHEMBL1371440 0.82 JAK2 (0.50) JAK2JAK1JAK3PDE10AWDR5
SCHEMBL1371441 0.81 JAK2 (0.40) JAK2JAK1JAK3PDE10AMTNR1A
SCHEMBL1370713 0.81 JAK2 (0.41) JAK2JAK1JAK3PDE10ADGAT1
Hydrochloric Acid SCHEMBL1370229 0.80 JAK2 (0.47) JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL1370232 0.80 ACHE (0.46) JAK2JAK1JAK3MTNR1ANQO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 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-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 (2 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 JAK2 3/4885JAK1 5/4885JAK3 7/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK2 3/4885JAK1 5/4885JAK3 7/4885

“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.