SCHEMBL2379723

SCHEMBL2379723

C[Si](C)(C)C#Cc1cnc2c(n1)c(C(=O)N[C@@H](C(=O)N1CCC(C#N)CC1)C1CC1)cn2COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.40
JAK2 O60674 5/20 0.40
JAK3 P52333 5/20 0.40
TYK2 P29597 1/20 0.40
PIK3CD O00329 1/20 0.32
PDE9A O76083 1/20 0.31

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
SCHEMBL2380450 0.92 JAK1 (0.43) JAK1JAK2JAK3TYK2PIK3CD
SCHEMBL2379341 0.89 JAK1 (0.42) JAK1JAK2JAK3TYK2PIK3CD
SCHEMBL14752117 0.89 JAK1 (0.42) JAK1JAK2JAK3TYK2PIK3CD
SCHEMBL2379582 0.83 JAK1 (0.46) JAK1JAK2JAK3TYK2
SCHEMBL2379124 0.82 JAK1 (0.39) JAK1JAK2JAK3TYK2PDE9A
SCHEMBL2377922 0.82 JAK1 (0.39) JAK1JAK2JAK3TYK2
SCHEMBL14752196 0.81 JAK1 (0.40) JAK1JAK2JAK3TYK2PIK3CD
SCHEMBL14752027 0.81 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL12300149 0.80 JAK1 (0.34) JAK1JAK2JAK3TYK2PIK3CD
SCHEMBL2378332 0.80 JAK3 (0.41) JAK1JAK2JAK3TYK2PIK3CD

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 JAK1 6/4885JAK2 5/4885JAK3 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.