SCHEMBL1371405

SCHEMBL1371405

Cc1cc(-c2cnc3[nH]cc(C(=O)O)c3n2)sc1C(=O)N1CC2(COC2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.37
JAK3 P52333 5/20 0.36
SYK P43405 12/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PDE10A Q9Y233 1/20 0.32
CYP2C9 P11712 2/20 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
SCHEMBL1371431 0.87 SYK (0.35) JAK3SYKCYP2D6KCNH2JAK2
SCHEMBL1696882 0.86 SYK (0.39) JAK3SYKKCNH2JAK2JAK1
SCHEMBL1369357 0.86 JAK3 (0.49) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL1372292 0.84 PIK3C3 (0.35) PIK3C3JAK3SYKCYP2D6KCNH2
SCHEMBL15755404 0.82 SYK (0.35) JAK3SYKCYP2D6KCNH2JAK2
SCHEMBL1371451 0.81 JAK3 (0.37) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL14795099 0.78 SYK (0.34) JAK3SYKCYP2D6KCNH2JAK2
SCHEMBL14795080 0.76 JAK3 (0.39) JAK3SYKJAK2JAK1
SCHEMBL1368976 0.74 JAK3 (0.49) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL1368804 0.72 JAK3 (0.51) JAK3SYKJAK2JAK1CYP2C9

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 claimed
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
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 PIK3C3 19/4885JAK3 7/4885SYK 1/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 PIK3C3 19/4885JAK3 7/4885SYK 1/4885

“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.