SCHEMBL1369049

SCHEMBL1369049

COc1cccc(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 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.49
JAK1 P23458 6/20 0.49
JAK3 P52333 6/20 0.49
ROCK2 O75116 6/20 0.46
ROCK1 Q13464 5/20 0.46
SYK P43405 2/20 0.44
CYP2C9 P11712 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
TNIK Q9UKE5 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL12148001 1.00 JAK2 (0.49) JAK2JAK1JAK3ROCK2ROCK1
SCHEMBL12147952 0.89 JAK3 (0.47) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1369763 0.89 JAK2 (0.52) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1369292 0.88 JAK2 (0.46) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL15755458 0.88 ROCK2 (0.51) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1371429 0.87 SYK (0.49) JAK2JAK1JAK3ROCK2ROCK1
SCHEMBL1370909 0.87 JAK3 (0.50) JAK2JAK1JAK3ROCK2ROCK1
SCHEMBL1370498 0.86 JAK2 (0.49) JAK2JAK1JAK3SYKMAPT
SCHEMBL1369466 0.85 JAK2 (0.51) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL12147871 0.85 JAK2 (0.51) JAK2JAK1JAK3SYKCYP2C9

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 7 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
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 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.