SCHEMBL2281944

SCHEMBL2281944

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccc(N4CCCC4)cc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.55
MAP4K1 Q92918 2/20 0.46
SYK P43405 3/20 0.46
KCNH2 Q12809 1/20 0.46
ABL1 P00519 2/20 0.41
NTRK1 P04629 2/20 0.41
YES1 P07947 2/20 0.41
PIM1 P11309 2/20 0.41
MAPK1 P28482 2/20 0.41
KDR P35968 2/20 0.41
HIPK1 Q86Z02 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL2275117 0.92 JAK3 (0.54) JAK3MAP4K1SYKKCNH2PIM1
SCHEMBL2281238 0.90 JAK3 (0.52) JAK3MAP4K1SYKMAPK1MAPT
SCHEMBL2276394 0.89 JAK3 (0.49) JAK3SYKKCNH2CYP2C9
SCHEMBL2278709 0.89 JAK3 (0.55) JAK3SYKKCNH2MAPK1CYP2C9
SCHEMBL2277142 0.88 JAK3 (0.51) JAK3MAP4K1SYK
SCHEMBL2281125 0.88 JAK3 (0.54) JAK3SYKKCNH2MAPK1CYP2C9
SCHEMBL2277265 0.87 JAK3 (0.50) JAK3MAP4K1SYK
SCHEMBL2276012 0.87 JAK3 (0.50) JAK3MAP4K1SYKKCNH2
SCHEMBL27801757 0.87 JAK3 (0.50) JAK3MAP4K1SYKKCNH2MAPK1
SCHEMBL2278520 0.87 JAK3 (0.55) JAK3SYKKCNH2MAPK1CYP2C9

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 13 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
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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
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 7/4885MAP4K1 462/4885SYK 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.