SCHEMBL12372625

SCHEMBL12372625

CC1(C(=O)c2c[nH]c3ncc(-c4cccc([Si](C)(C)C)c4)nc23)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.41
SYK P43405 7/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 2/20 0.40
BTK Q06187 2/20 0.36
ITK Q08881 2/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
CYP2D6 P10635 3/20 0.36

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
SCHEMBL2354465 0.88 JAK3 (0.40) JAK3SYKCYP2C9MAPK1BTK
SCHEMBL2276425 0.87 JAK3 (0.42) JAK3SYKCYP2C9MAPK1BTK
SCHEMBL3058703 0.86 SYK (0.47) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2280973 0.86 SYK (0.47) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2282990 0.86 JAK3 (0.42) JAK3SYKCYP2C9MAPK1BTK
SCHEMBL2275097 0.85 JAK3 (0.48) JAK3SYKCYP2C9MAPK1BTK
SCHEMBL2275354 0.84 JAK3 (0.40) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2275696 0.84 JAK3 (0.40) JAK3SYKCYP2C9MAPK1BTK
SCHEMBL2275232 0.84 JAK3 (0.40) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2273790 0.83 JAK3 (0.40) JAK3SYKCYP2C9MAPK1JAK2

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
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 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-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.