SCHEMBL1371441

SCHEMBL1371441

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccc4c(c3)[C@H](NS(C)(=O)=O)CC4)nc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.40
JAK1 P23458 8/20 0.40
JAK3 P52333 8/20 0.40
ACHE P22303 3/20 0.35
SLC8A1 P32418 6/20 0.34
PDE10A Q9Y233 1/20 0.34
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL1371440 0.91 JAK2 (0.50) JAK2JAK1JAK3SLC8A1PDE10A
Hydrochloric Acid SCHEMBL1370232 0.88 ACHE (0.46) JAK2JAK1JAK3ACHESLC8A1
SCHEMBL1369363 0.81 JAK2 (0.52) JAK2JAK1JAK3PDE10ANQO2
SCHEMBL1369359 0.81 JAK2 (0.52) JAK2JAK1JAK3PDE10ANQO2
SCHEMBL1370783 0.81 JAK2 (0.56) JAK2JAK1JAK3PDE10A
SCHEMBL1370565 0.80 PDPK1 (0.36) JAK2JAK1JAK3
SCHEMBL1369194 0.80 JAK3 (0.62) JAK2JAK1JAK3ACHE
SCHEMBL1370692 0.79 JAK2 (0.52) JAK2JAK1JAK3PDE10A
SCHEMBL1369633 0.79 JAK2 (0.39) JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL1370229 0.79 JAK2 (0.47) JAK2JAK1JAK3ACHE

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.