SCHEMBL2378628

SCHEMBL2378628

CC(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccccc3)nc12)C(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.42
JAK1 P23458 8/20 0.42
JAK3 P52333 8/20 0.42
DPP4 P27487 2/20 0.39
NPC1 O15118 1/20 0.34
P2RY12 Q9H244 1/20 0.34
UGCG Q16739 1/20 0.33
CCR1 P32246 4/20 0.33

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
SCHEMBL1369630 0.89 JAK3 (0.52) JAK2JAK1JAK3
SCHEMBL1371189 0.84 JAK2 (0.57) JAK2JAK1JAK3
SCHEMBL1353887 0.81 JAK2 (0.39) JAK2JAK1JAK3
SCHEMBL1351068 0.81 DGAT1 (0.40) JAK2JAK1JAK3NPC1
SCHEMBL1369633 0.80 JAK2 (0.39) JAK2JAK1JAK3
SCHEMBL1353886 0.80 CNR2 (0.43) JAK2JAK1JAK3
SCHEMBL1696870 0.79 DGAT1 (0.40) JAK2JAK1JAK3
SCHEMBL1368957 0.78 JAK3 (0.58) JAK2JAK1JAK3
SCHEMBL2344237 0.78 DGAT1 (0.38) JAK2JAK1JAK3
SCHEMBL1371282 0.77 DGAT1 (0.40) JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-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 (1 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK JAK2 5/4885JAK1 6/4885JAK3 13/4885

“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.