SCHEMBL1369461

SCHEMBL1369461

CCCNC(=O)c1c[nH]c2ncc(Oc3cccc(Cl)c3)nc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.61
JAK2 O60674 13/20 0.61
JAK1 P23458 13/20 0.61
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
SYK P43405 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
SCHEMBL1369429 0.92 JAK3 (0.63) JAK3JAK2JAK1CYP1A2CYP2C9
SCHEMBL1370770 0.89 JAK3 (0.62) JAK3JAK2JAK1L3MBTL1SYK
SCHEMBL1370099 0.89 JAK3 (0.74) JAK3JAK2JAK1POLBNR1H2
SCHEMBL1369975 0.89 JAK3 (0.78) JAK3JAK2JAK1
SCHEMBL1370877 0.88 JAK3 (0.71) JAK3JAK2JAK1
SCHEMBL1370912 0.87 JAK3 (0.64) JAK3JAK2JAK1SYK
SCHEMBL1370844 0.87 JAK3 (0.59) JAK3JAK2JAK1EGLN1SYK
SCHEMBL1368911 0.86 JAK3 (0.58) JAK3JAK2JAK1EGLN1
SCHEMBL1369221 0.86 JAK3 (0.58) JAK3JAK2JAK1POLBTDP1
SCHEMBL1369140 0.86 JAK3 (0.75) JAK3JAK2JAK1EGLN1

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 JAK3 7/4885JAK2 3/4885JAK1 5/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 5/4885

“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.