SCHEMBL2277357

SCHEMBL2277357

COC(=O)NCC1(C)CCN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.45
SYK P43405 3/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2D6 P10635 1/20 0.34
MAP4K1 Q92918 1/20 0.33
PRKCI P41743 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
SCHEMBL2279011 0.92 JAK3 (0.46) JAK3SYKCYP2D6PRKCI
SCHEMBL2277311 0.90 JAK3 (0.46) JAK3SYKCYP2C9CYP2D6MAP4K1
SCHEMBL2279566 0.89 JAK3 (0.48) JAK3SYKCYP2D6MAP4K1PRKCI
SCHEMBL2276715 0.88 JAK3 (0.47) JAK3SYKCYP2D6PRKCI
SCHEMBL2276805 0.88 JAK3 (0.45) JAK3SYKCYP2D6PRKCI
SCHEMBL2282175 0.86 JAK3 (0.51) JAK3SYKCYP2C9CYP2D6PRKCI
SCHEMBL2278971 0.86 JAK3 (0.48) JAK3SYKCYP2C9CYP2D6MAP4K1
SCHEMBL2277806 0.85 JAK3 (0.45) JAK3SYKCYP2C9CYP2D6PRKCI
SCHEMBL2279871 0.85 JAK3 (0.50) JAK3SYKCYP2D6PRKCI
SCHEMBL2277529 0.84 JAK3 (0.44) JAK3SYKCYP2D6

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