SCHEMBL1371429

SCHEMBL1371429

COc1ccc(OC)c(CNC(=O)c2ccc(-c3cnc4[nH]cc(C(=O)N[C@@H](C)C(C)(C)C)c4n3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.49
CYP2C9 P11712 1/20 0.46
JAK2 O60674 8/20 0.46
JAK1 P23458 8/20 0.46
JAK3 P52333 8/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL1369643 0.90 JAK2 (0.47) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14795170 0.88 MAPT (0.49) SYKCYP2C9ROCK2ROCK1MAPT
SCHEMBL1369049 0.87 JAK2 (0.49) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL12148001 0.87 JAK2 (0.49) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL1368645 0.83 JAK2 (0.49) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL1370063 0.82 JAK2 (0.56) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL1368498 0.82 JAK2 (0.61) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL1369763 0.82 JAK2 (0.52) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL1369095 0.82 JAK3 (0.55) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL1368600 0.81 JAK3 (0.58) SYKCYP2C9JAK2JAK1JAK3

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 8 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
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US 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
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
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US 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 SYK 1/4885CYP2C9 3849/4885JAK2 3/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 SYK 1/4885CYP2C9 3849/4885JAK2 3/4885

“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.