SCHEMBL2276586

SCHEMBL2276586

CC1(C)CCN(c2cccc(-c3cnc4[nH]cc(C(=O)NC5CCCOC5)c4n3)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.43
CNR2 P34972 1/20 0.43
PTGES O14684 1/20 0.41
JAK3 P52333 7/20 0.39
BMPR1B O00238 2/20 0.38
BMPR1A P36894 2/20 0.38
TGFBR1 P36897 2/20 0.38
ACVRL1 P37023 2/20 0.38
ACVR1 Q04771 2/20 0.38
TYK2 P29597 1/20 0.37
ATR Q13535 1/20 0.37
CYP2C9 P11712 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 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
SCHEMBL12449900 0.93 CNR2 (0.39) SYKCNR2PTGESJAK3ATR
SCHEMBL2343568 0.89 CNR2 (0.40) SYKCNR2PTGESATRJAK2
SCHEMBL2275385 0.82 SYK (0.55) SYKJAK3CYP2C9JAK2JAK1
SCHEMBL2274335 0.82 SYK (0.41) SYKJAK3ATRCYP2C9JAK2
SCHEMBL2280377 0.81 JAK3 (0.40) SYKJAK3CYP2C9JAK2JAK1
SCHEMBL2278920 0.81 SYK (0.50) SYK
SCHEMBL2277835 0.80 ATR (0.49) SYKJAK3ATRCYP2C9JAK2
SCHEMBL2282175 0.80 JAK3 (0.51) SYKJAK3CYP2C9
SCHEMBL2279128 0.78 SYK (0.51) SYKJAK3
SCHEMBL2280571 0.77 JAK3 (0.54) SYKJAK3CYP2C9JAK2JAK1

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 9 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-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
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 SYK 1/4885CNR2 2896/4885PTGES 1217/4885

“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.