SCHEMBL1369643

SCHEMBL1369643

COc1ccccc1CNC(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C)C(C)(C)C)c3n2)s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.47
JAK1 P23458 9/20 0.47
JAK3 P52333 9/20 0.47
SYK P43405 3/20 0.47
CYP2C9 P11712 1/20 0.46
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HDAC1 Q13547 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 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
SCHEMBL1371429 0.90 SYK (0.49) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1368645 0.90 JAK2 (0.49) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1369763 0.87 JAK2 (0.52) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL15755579 0.87 POLB (0.46) SYKROCK2ROCK1HDAC1POLB
SCHEMBL1371235 0.86 JAK2 (0.47) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1370939 0.86 JAK2 (0.50) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1369049 0.85 JAK2 (0.49) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL12148001 0.85 JAK2 (0.49) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1370063 0.84 JAK2 (0.56) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL12148303 0.84 JAK2 (0.50) 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.