SCHEMBL2354465

SCHEMBL2354465

CCC1(C(=O)c2c[nH]c3ncc(-c4cccc([Si](C)(C)C)c4)nc23)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.40
SYK P43405 7/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 1/20 0.38
JAK2 O60674 5/20 0.36
JAK1 P23458 5/20 0.36
CYP2D6 P10635 2/20 0.36
BTK Q06187 2/20 0.35
ITK Q08881 2/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL12372625 0.88 JAK3 (0.41) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2354831 0.85 JAK3 (0.38) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2361899 0.84 JAK3 (0.39) JAK3SYKCYP2C9MAPK1KCNH2
SCHEMBL3434618 0.79 PRKD1 (0.42) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL2282305 0.78 SYK (0.45) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL3188154 0.78 TP53 (0.38) JAK3SYKMAPK1JAK2JAK1
SCHEMBL2282301 0.77 SYK (0.63) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL2273798 0.77 JAK3 (0.59) JAK3SYKCYP2C9MAPK1CYP2D6
SCHEMBL1899236 0.75 CNR2 (0.35) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2357413 0.75 DGAT1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 JAK3 7/4885SYK 1/4885CYP2C9 3511/4885

“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.