SCHEMBL2277323

SCHEMBL2277323

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCC(CNCCS(C)(=O)=O)C4)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.46
SMO Q99835 1/20 0.37
SYK P43405 5/20 0.37
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 1/20 0.35
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
TYRO3 Q06418 3/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
IRAK1 P51617 1/20 0.34
LDHA P00338 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
SCHEMBL2275510 0.87 JAK3 (0.51) JAK3SYKCYP2D6KCNH2IRAK1
SCHEMBL2275084 0.87 JAK3 (0.51) JAK3SYKCYP2D6KCNH2IRAK1
SCHEMBL2275078 0.87 JAK3 (0.51) JAK3SYKCYP2D6KCNH2IRAK1
SCHEMBL2279286 0.86 JAK3 (0.51) JAK3SYKCYP2D6
SCHEMBL2275763 0.84 JAK3 (0.51) JAK3SYKTYRO3
SCHEMBL2276067 0.83 JAK3 (0.53) JAK3SYK
SCHEMBL2279056 0.83 JAK3 (0.53) JAK3SYKCYP2D6KCNH2
SCHEMBL2279622 0.82 JAK3 (0.55) JAK3SYKCYP2D6KCNH2CARM1
SCHEMBL2273911 0.81 JAK3 (0.50) JAK3SYKCYP2D6CKS1BSKP1
SCHEMBL2352419 0.81 JAK3 (0.48) JAK3SYKCYP2D6KCNH2TYRO3

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 7/4885SMO 4664/4885SYK 1/4885

“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.