SCHEMBL1370643

SCHEMBL1370643

CCCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](NC(=O)c3ccccc3)CC4)nc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.65
JAK1 P23458 16/20 0.65
JAK3 P52333 16/20 0.65
HPGDS O60760 1/20 0.41
WDR5 P61964 1/20 0.40
ACHE P22303 1/20 0.39
SLC8A1 P32418 1/20 0.38

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
SCHEMBL1369625 0.91 JAK3 (0.78) JAK2JAK1JAK3ACHE
SCHEMBL1369960 0.91 JAK3 (0.78) JAK2JAK1JAK3ACHE
SCHEMBL1370488 0.90 JAK3 (0.68) JAK2JAK1JAK3ACHE
SCHEMBL1371572 0.89 JAK3 (0.67) JAK2JAK1JAK3ACHE
SCHEMBL1372234 0.89 JAK3 (0.67) JAK2JAK1JAK3ACHE
SCHEMBL1370361 0.89 JAK3 (0.66) JAK2JAK1JAK3ACHE
SCHEMBL1370641 0.89 JAK3 (0.82) JAK2JAK1JAK3HPGDS
SCHEMBL1369347 0.87 JAK3 (0.63) JAK2JAK1JAK3ACHE
SCHEMBL1369194 0.86 JAK3 (0.62) JAK2JAK1JAK3ACHE
SCHEMBL1370753 0.86 JAK2 (0.62) JAK2JAK1JAK3ACHESLC8A1

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.