SCHEMBL1369438

SCHEMBL1369438

CCCNC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.51
JAK1 P23458 9/20 0.51
JAK3 P52333 9/20 0.51
TRPA1 O75762 3/20 0.43
MAPK14 Q16539 1/20 0.41
SYK P43405 2/20 0.39
CARM1 Q86X55 1/20 0.39

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
SCHEMBL1371931 0.92 JAK2 (0.52) JAK2JAK1JAK3TRPA1SYK
SCHEMBL1369437 0.85 JAK3 (0.70) JAK2JAK1JAK3SYK
SCHEMBL1369958 0.85 JAK3 (0.59) JAK2JAK1JAK3SYK
SCHEMBL1696916 0.85 JAK3 (0.46) JAK2JAK1JAK3MAPK14SYK
SCHEMBL1368681 0.84 JAK3 (0.59) JAK2JAK1JAK3SYK
SCHEMBL1352456 0.84 JAK2 (0.50) JAK2JAK1JAK3TRPA1
SCHEMBL1368323 0.83 JAK3 (0.58) JAK2JAK1JAK3SYK
SCHEMBL1368403 0.83 JAK3 (0.73) JAK2JAK1JAK3
SCHEMBL12147862 0.83 JAK3 (0.61) JAK2JAK1JAK3SYK
SCHEMBL1368768 0.83 JAK3 (0.61) JAK2JAK1JAK3SYK

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
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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
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.