SCHEMBL2379124

SCHEMBL2379124

C[Si](C)(C)CCOCn1cc(C(=O)N[C@@H](C(=O)N2CCC(C#N)CC2)C2CC2)c2nc(-c3cn(C4CCCC4)nn3)cnc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.39
JAK2 O60674 6/20 0.39
JAK3 P52333 6/20 0.39
TYK2 P29597 1/20 0.39
IRAK4 Q9NWZ3 4/20 0.33
PDE9A O76083 1/20 0.32
KDM5C P41229 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
KDM3A Q9Y4C1 1/20 0.31
DPP4 P27487 2/20 0.30

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
SCHEMBL2379341 0.85 JAK1 (0.42) JAK1JAK2JAK3TYK2PDE9A
SCHEMBL14752117 0.85 JAK1 (0.42) JAK1JAK2JAK3TYK2PDE9A
SCHEMBL2377922 0.83 JAK1 (0.39) JAK1JAK2JAK3TYK2
SCHEMBL2380450 0.83 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2379723 0.82 JAK1 (0.40) JAK1JAK2JAK3TYK2PDE9A
SCHEMBL14752027 0.81 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL14747139 0.80 JAK1 (0.50) JAK1JAK2JAK3TYK2
SCHEMBL14655969 0.80 KDM2A (0.35) KDM5CKDM2AKDM3A
SCHEMBL2378534 0.79 JAK1 (0.62) JAK1JAK2JAK3TYK2
SCHEMBL2379582 0.79 JAK1 (0.46) JAK1JAK2JAK3TYK2

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.