SCHEMBL2280305

SCHEMBL2280305

COC[C@H]1CCCN1Cc1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.48
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
PNP P00491 1/20 0.38
SYK P43405 2/20 0.38
CYP2C9 P11712 1/20 0.38
S1PR1 P21453 1/20 0.38
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL2280314 1.00 JAK3 (0.48) JAK3HDAC8HDAC6HDAC1PNP
SCHEMBL2275297 0.91 JAK3 (0.50) JAK3SYKPDCD1CD274
SCHEMBL2275474 0.91 JAK3 (0.50) JAK3SYKPDCD1CD274
SCHEMBL2275307 0.91 JAK3 (0.50) JAK3SYKPDCD1CD274
SCHEMBL2273811 0.88 JAK3 (0.51) JAK3SYKCYP2C9
SCHEMBL2273819 0.88 JAK3 (0.51) JAK3SYKCYP2C9
SCHEMBL2278701 0.87 JAK3 (0.51) JAK3SYKCYP2C9
SCHEMBL2278523 0.86 JAK3 (0.49) JAK3SYKPDCD1CD274
SCHEMBL12372305 0.86 JAK3 (0.49) JAK3SYKCYP2C9
SCHEMBL2277411 0.86 JAK3 (0.49) JAK3SYKPDCD1CD274

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 12 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
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
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 7/4885HDAC8 3591/4885HDAC6 1465/4885

“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.