SCHEMBL1371671

SCHEMBL1371671

C[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(C(=O)NCC#N)s3)nc12)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.53
JAK2 O60674 14/20 0.53
JAK1 P23458 14/20 0.53
SYK P43405 5/20 0.42
CYP2C9 P11712 1/20 0.41
TYK2 P29597 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
SCHEMBL1370108 0.91 JAK3 (0.53) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1370063 0.90 JAK2 (0.56) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1368498 0.90 JAK2 (0.61) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1369095 0.89 JAK3 (0.55) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1368600 0.87 JAK3 (0.58) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1369100 0.86 JAK2 (0.57) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1369763 0.86 JAK2 (0.52) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1370798 0.86 JAK3 (0.52) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1368871 0.86 SYK (0.56) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1369466 0.85 JAK2 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.