SCHEMBL1369563

SCHEMBL1369563

C[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(C(=O)N(C)Cc4ccc(F)cc4)s3)nc12)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.48
JAK2 O60674 8/20 0.48
JAK1 P23458 8/20 0.48
SYK P43405 10/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP2C9 P11712 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
SCHEMBL12148303 0.86 JAK2 (0.50) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1369771 0.86 JAK2 (0.50) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL14795119 0.86 HSD17B2 (0.45) SYKHSD17B1HSD17B2
SCHEMBL1370610 0.86 JAK2 (0.49) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1372186 0.85 AKT3 (0.50) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1368912 0.83 JAK3 (0.54) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1370203 0.83 JAK2 (0.52) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1368498 0.83 JAK2 (0.61) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1369851 0.83 JAK3 (0.53) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1371318 0.82 JAK3 (0.52) JAK3JAK2JAK1SYKCYP2C9

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 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.