SCHEMBL1371895

SCHEMBL1371895

CC(C)(C#N)C(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.44
JAK2 O60674 16/20 0.44
JAK3 P52333 16/20 0.44
TYK2 P29597 2/20 0.37
DGAT1 O75907 3/20 0.37

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
SCHEMBL1371598 0.91 JAK2 (0.56) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL1368764 0.91 JAK2 (0.56) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL1370195 0.88 DGAT1 (0.38) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL2387681 0.88 DGAT1 (0.38) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL1371116 0.85 JAK2 (0.50) JAK1JAK2JAK3DGAT1
SCHEMBL1369915 0.85 JAK2 (0.44) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL12449399 0.84 JAK2 (0.53) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL17403295 0.84 JAK1 (0.40) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL2384175 0.84 DGAT1 (0.40) JAK1JAK2JAK3TYK2DGAT1
SCHEMBL17403293 0.83 JAK1 (0.39) JAK1JAK2JAK3TYK2DGAT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011117160-A1 PYRROLOPYRAZINE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230414-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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 JAK1 5/4885JAK2 3/4885JAK3 7/4885
US-20110230414-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 JAK1 6/4885JAK2 3/4885JAK3 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.