SCHEMBL2379421

SCHEMBL2379421

Cn1cnc(-c2cnc3c(n2)c(C(=O)N[C@@H](C(=O)N2CCC(C#N)CC2)C(C)(C)C)cn3COCC[Si](C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.40
JAK1 P23458 11/20 0.40
JAK2 O60674 10/20 0.40
TYK2 P29597 2/20 0.40
CNR2 P34972 3/20 0.34
SYK P43405 1/20 0.33
PIK3CD O00329 1/20 0.32
RORC P51449 1/20 0.31
DGAT1 O75907 1/20 0.30
CCR1 P32246 1/20 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
SCHEMBL2378169 0.91 JAK3 (0.38) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2378332 0.88 JAK3 (0.41) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2378268 0.88 JAK1 (0.40) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2485227 0.86 JAK3 (0.43) JAK3JAK1JAK2TYK2CNR2
SCHEMBL14751953 0.84 JAK2 (0.53) JAK3JAK1JAK2TYK2SYK
SCHEMBL2378414 0.84 JAK3 (0.39) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2377922 0.81 JAK1 (0.39) JAK3JAK1JAK2TYK2
SCHEMBL2379097 0.80 JAK2 (0.45) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2379093 0.80 JAK2 (0.45) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2376836 0.79 JAK1 (0.64) JAK3JAK1JAK2TYK2

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 JAK3 13/4885JAK1 6/4885JAK2 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.